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Both superoxide and H2O2 increase the rate of Keywords antioxidation; fusion protein; hemoglobin; superoxide dismutase Correspondence L.. We show that the engineered SOD–Hb fusion protei

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protein showing enhanced antioxidative properties

Marie Grey1, Sakda Yainoy1,2, Virapong Prachayasittikul2and Leif Bu¨low1

1 Department of Pure and Applied Biochemistry, Centre for Chemistry and Chemical Engineering, Lund University, Sweden

2 Department of Clinical Microbiology, Faculty of Medical Technology, Mahidol University, Bangkok, Thailand

Introduction

The toxicity of Hb outside of its natural protective red

blood cell environment has been linked partly to the

redox activity of the Hb molecule Consequently, Hb

can react with, and generate, reactive oxygen species

such as the superoxide anion Hb, both inside and

out-side of the red blood cell, readily undergoes

autoxida-tion, but the degree of oxidation is normally restricted

to approximately 3% of the total Hb by the metHb

reductase system However, if damage occurs to the red

blood cells, Hb may be released and, as the normal

pro-tection systems, involving also superoxide dismutase

(SOD) and catalase, are no longer associated with the

Hb, Hb is exposed to oxidative damage Autoxidation

leads to nonfunctional metHb (HbFe3+) and

superox-ide ions (Eqns 1–4) Furthermore, reoxygenation of a

tissue previously deprived of oxygen will produce

super-oxide, a phenomenon known as reperfusion injury [1,2]

HbFe2þO2þ H2O2! HbFe4þ@O þ H2Oþ O2 ð1Þ

HbFe2þO2! HbFe3þþ O

HbFe3þþ H2O2!HbFe4þ@ O þ H2O ð3Þ

HbFe4þ@ O þ H2O2! HbFe3þþ O2 þ H2O!

Superoxide can be reduced either enzymatically by SOD, or spontaneously by dismutation to H2O2 Both superoxide and H2O2 increase the rate of

Keywords

antioxidation; fusion protein; hemoglobin;

superoxide dismutase

Correspondence

L Bu¨low, Department of Pure and Applied

Biochemistry, Centre for Chemistry and

Chemical Engineering, Lund University,

P.O Box 124, SE-211 00, Lund, Sweden

Fax: +46 46 222 4611

Tel: +46 46 222 9594

E-mail: Leif.Bulow@tbiokem.lth.se

(Received 13 May 2009, revised 27 July

2009, accepted 24 August 2009)

doi:10.1111/j.1742-4658.2009.07323.x

Much of the toxicity of Hb has been linked to its redox activity; Hb may generate reactive oxygen species, such as the superoxide anion Superoxide

is intrinsically toxic, and superoxide dismutase (SOD) provides important cellular protection However, if the Hb molecule is located outside the red blood cell, the normal protection systems involving SOD and catalase are

no longer closely associated with it, exposing Hb and its cellular surround-ings to oxidative damage In order to produce less toxic Hb molecules, we have explored gene fusion to obtain homogeneous SOD–Hb conjugates The chimeric protein was generated by coexpressing the human Hb a-chain⁄ manganese SOD gene together with the b-chain gene in Escherichia coli We show that the engineered SOD–Hb fusion protein retains the oxygen-binding capacity and, moreover, decreases cytotoxic ferrylHb (HbFe4+) formation when challenged with superoxide radicals The SOD–

Hb fusion protein also exhibits a 44% lower autoxidation rate and higher thermal stability than Hb alone

Abbreviations

DSC, differential scanning calorimetry; ROS, reactive oxygen species; SOD, superoxide dismutase.

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metHb formation [3] and eventually lead to heme

degradation The catalase present intracellularly may

be sufficient to remove H2O2 by conversion to water

[4]; however, there is not sufficient SOD to eliminate

the superoxide Chang [2], Alagic [4] and Tarasov [5]

have characterized Hb chemically conjugated to SOD

alone or SOD combined with catalase, i.e Hb–SOD

and polyHb–SOD–catalase, respectively The latter

Hb conjugate has been shown to have antioxidative

properties and offer protection against reperfusion

injury [6]

In order to create proximity between SOD and Hb,

we consequently explored gene fusion Such closeness

generates a favorable microenvironment in which the

formed superoxide ions can be directly taken care of

The SOD–Hb protein was prepared by linking the

human Hb a-chain gene with the human manganese

SOD gene Manganese SOD was chosen because it

shows lower product inhibition by H2O2 and has a

much longer half-life in serum, 5–6 h as compared to

6–10 min for copper and zinc SOD [7,8] This

approach enabled us to produce the SOD–Hb in

Escherichia coliand to obtain a homogeneous product

We characterized this novel enzyme by analyzing the

stability, activity and antioxidative properties of the

fused SOD–Hb, and we then compared it with human

Hb, also produced in E coli

Results

Protein expression and purification

It is notoriously difficult to produce human Hb in

microorganisms, because the a-chains and b-chains

must be produced in equal amounts to give functional

Hb molecules The a-chains are especially prone to

precipitation and degradation if expression is

unbal-anced [9] By linking the SOD gene to the a-chain

gene, we could stabilize fusion protein expression The

proteins were purified using affinity chromatography;

details can be found in Doc S1 After optimization of

the expression protocol, SOD–Hb was expressed well,

with a yield of 8 mgÆL)1, which is four times higher

than the yields obtained with other Hb fusion proteins

[10] The expression level was lower for SOD–Hb than

for wild-type Hb, but may be further optimized by

introducing compensatory mutations to increase

expression and improve heme transport into the cell

[11] Denaturation SDS⁄ PAGE analysis (Fig 1)

showed bands of the expected sizes: 16 kDa for

b-chain Hb, and 38 kDa for SOD–a-chain Hb In

addition, SOD–Hb showed the characteristic red color

of Hb

Molecular mass determination Molecular masses were determined by gel filtration on

a Superdex 200 prep grade column, which gave four components Two of these, corresponding to almost 50% of the peak area (Fig 2), were complexes larger than 160 kDa The remaining peaks corresponded to SOD–Hb in the monomer and dimer forms at equal concentrations (where the Hb b-chain is included; Fig 2)

Activity measurements The SOD activity assay showed a SOD activity of 1.3· 105UÆlmol)1 for SOD–Hb, which means that the fusion protein retained more than half (52%)

of the native SOD activity This corresponds closely

to the amount of high molecular mass SOD–Hb As the native SOD is functional as a tetramer, it is possi-ble that the dimer and monomer fractions of SOD–Hb exhibit much lower activity, or may even be nonfunc-tional [7,12]

In the CO and O2 binding assays, the protein sam-ples were reduced with sodium dithionite and then gently bubbled with CO or O2 (Fig 3) SOD–Hb showed the typical absorption spectrum characteristics

of human Hb, with peaks located at wavelengths of

417, 536 and 566 nm, which are almost identical to those of HbCO (417, 537 and 567 nm) An O2 spec-trum was also recorded, and SOD–Hb again showed the typical peaks at 414, 538 and 573 nm, similar to HbO2 (413, 539 and 574 nm) In particular, the O2 peaks of the fusion protein in the visible region appear to be slightly broader than those of Hb, and there also appears to be a minor peak at 630 nm on the CO spectrum These could be explained by very low amounts of ferric protein in both the SOD–Hb spectra [13]

Fig 1 The results of SDS ⁄ PAGE on crude extract and purified sample Lane 1: molecular mass marker Lane 2: crude extract of SOD–Hb Lane 3: purified SOD–Hb.

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Autoxidation studies were performed at room tem-perature (20–22C) for 48 h, using an Hb concentration

of 8 lm, and followed using visible spectrophotometry The rate constant for Hb (0.18 h)1) was almost twice as high as that for SOD–Hb (0.10 h)1)

Stability Thermal stability was investigated using differential scanning calorimetry (DSC) The asymmetric shape of the DSC curve (Fig 4) suggests a complex denatur-ation path, which is irreversible under the present con-ditions Thermal denaturation of Hb begins with the dissociation of the tetramer into monomers [14], and ends with a certain degree of aggregation The

Fig 2 Schematic representation of SOD–Hb

showing possible conformations resulting

in (from top to bottom): the high molecular

mass complex, an SOD–Hb dimer, and finally

an SOD–Hb monomer.

A

B

Fig 3 Reduced SOD–Hb and Hb were bubbled with O 2 (A) or CO

(B) SOD–Hb shows the absorption spectrum characteristics typical

of human Hb for both O2and CO Critical regions of the protein

spectra have been enlarged The scale on the y-axis is offset for

clarity.

Fig 4 DSC was performed on 60 l M Hb (dashed line) or 30 l M SOD–Hb (solid line) Cp, heat capacity.

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broader, less well-defined peak of SOD–Hb indicates

contributions from more than one thermal process,

and thus a more intricate mixture of complexes (e.g

higher-order ‘aggregates’), in agreement with the

results of the gel filtration experiments showing several

species In addition, both Hb and SOD are normally

tetramers, which could account for the numerous

ther-mal processes as they dissociate into dimers and

mono-mers In addition to dissociation into dimers, the

complexity of the DSC curve is increased by the

ther-mal inactivation of the SOD enzymatic activity,

result-ing in smaller conformational changes [15], which

probably contribute to the broadness of the peak

Apparent Tmvalues were calculated using the Microcal

software origin, and found to be 48.7C (Hb) and

55.1C (SOD–Hb), corresponding to the Tm value of

53.2C reported by Olsen [16] (HbACO) SOD–Hb

thus exhibits greater heat stability than Hb, although

lower stability than SOD alone (Tm of 68–94C)

[12,17]

Heme reactivity

Heme loss is dependent on the geometry of the protein

and, possibly, also water shielding Oxidation of the

heme to the met form (Fe3+) increases the probability

of heme loss as the fifth coordination bond to the

proximal histidine is weakened [18] The fast phase has

been associated with heme loss from the b-chains,

whereas the slow phase is attributed to the a-chains

[19] SOD–Hb showed a heme loss rate of

0.19 ± 0.05 min)1 for the fast phase, whereas the loss

rate of Hb was almost three times lower

(0.069 ± 0.008 min)1) Although the b-chains do not

take part directly in the fusion, the effect is more

profound here, suggesting that the b-chains are less

protected during fusion than Hb As expected, for the

slow phase both Hb and SOD–Hb a-chains

exhi-bited lower heme loss rates (0.011 ± 0.001 and

0.017 ± 0.003 min)1, respectively), indicative of higher

heme affinity

SOD–Hb and Hb were also incubated together with

a xanthine⁄ xanthine oxidase superoxide-generating

sys-tem After 30 min of incubation, sodium sulfide, which

reacts with ferrylHb to form sulfHb, was added As

shown in Fig 5, SOD–Hb was significantly more

effec-tive in reducing the amount of ferrylHb formed

(P = 0.0018) than Hb

Heme degradation of Hb and SOD–Hb by H2O2

was measured by monitoring the fluorescence of the

degradation products (Fig 6) For all H2O2

concentra-tions used (1, 2 and 4 mm), the amount of heme

degra-dation for SOD–Hb was much lower than for Hb

alone For both proteins, increasing the H2O2 concen-tration increased the denaturation, as indicated by flu-orescence measurements Blank measurements without

H2O2 gave no contribution to the fluorescence signal (data not shown)

Discussion

The proximity between two proteins is often impor-tant For instance, the physical closeness between two or several enzymes catalyzing sequential reac-tions is a feature of many metabolic pathways The frequently observed improved kinetic behavior of such associated proteins has been explained by the formation of a favorable ‘microenvironment’ in

Fig 5 FerrylHb formation was measured with 10 l M Hb or SOD–

Hb *Significantly different from Hb (P = 0.0018, Student’s t-test).

Fig 6 The formation of fluorescent heme degradation products was measured at a fixed concentration of oxyHb (15 l M ) and vary-ing concentrations of H2O2: e, Hb with 4 m M H2O2; D, Hb with

2 m M H2O2; h, Hb with 1 m M H2O2;¤, SOD–Hb with 4 mM

H 2 O 2 ; , SOD–Hb with 2 m M H 2 O 2 ; , SOD–Hb with 1 m M H 2 O 2

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which the local concentration of intermediates is

higher Similarly, a second protein in an aggregate

can provide protection against a toxic compound or

intermediate

There are several ways of creating proximity

between proteins A frequently used technique involves

chemical cross-linking of the relevant proteins This

normally generates protein conjugates with random

linking and random orientation of the active centers

Proximity between two or more proteins may also be

achieved by performing in-frame gene fusion of the

corresponding structural genes The chimeric gene then

encodes a polypeptide chain carrying two or more

active centers This strategy resembles the proposed

model for the evolution of naturally occurring

multi-functional proteins [20] Through comparison of DNA

sequences from different species, it has been

demon-strated that such proteins probably evolved through

gene translocation followed by gene fusion Extensive

studies of such naturally occurring protein aggregates

have enabled the three-dimensional structures to be

determined for some of them, notably phosphoribosyl

anthranilate isomerase⁄ indole glycerol phosphate

syn-thase and tryptophan synsyn-thase Besides generating

homogeneous conjugates, this method also allows for

in vivo testing of the fusion proteins, as opposed to

chemical approaches

Superoxide is intrinsically toxic, and SOD provides

important cellular protection Superoxide radicals

and⁄ or impaired SOD functionality have been

impli-cated in diabetes, cancer and neurodegenerative

dis-eases, in addition to cellular damage such as lipid

peroxidation, protein oxidation, and DNA damage

[21,22] Hb may generate reactive oxygen species,

which can be particularly deleterious in clinical

appli-cations, e.g in blood substitutes When a gene fusion

approach is used, the link between the SOD and Hb

is always present between the same amino acid

resi-dues, which precludes heterogeneity Conversely, the

chemically linked Hb–SOD products described by

Alagic [4] and Tarasov [5] have cross-links introduced

at different residues, as well as reactive groups, which

must be blocked in a separate step In these chemical

linking approaches, usually both intra-tetramer and

inter-tetramer bonds are introduced, with the

involve-ment of multiple side chains [23] In addition, it has

been shown that shorter cross-links may provide

better stabilized Hb [24] The SOD–Hb was designed

with a very short linker of only one alanine, in order

to promote proximity, as well as to reduce

proteo-lytic degradation during production However, our

SOD–Hb shows the presence of different aggregation

forms, with large complexes as well as dimers and

monomers The gel filtration step described could, however, be used to remove these fractions As it is likely that the monomer and dimer forms are inac-tive, this simple step could increase the homogeneity

of the product as well as removing the less active fractions

SOD–Hb retains about half of the specific activity

of native SOD This lower activity may be due to the steric difficulties encountered in forming the necessary SOD tetramers [7,12] The tetrameric conformation is important for the formation of an active site suitable for Mn ligation [12] An alternative strategy could be

to coexpress native SOD with our fusion protein, which may facilitate tetramer formation Similarly, we can coexpress native Hb a-chains together with SOD–

Hb to generate a free N-terminal end of this polypep-tide chain It is therefore essential to consider subunit interactions when engineering fusion proteins, particu-larly when producing larger Hb conjugates As indi-cated earlier, catalase is a key component when generating functional Hb-based blood substitutes We have prepared an SOD–catalase fusion protein that can be coexpressed with SOD–Hb in E coli By exploring the natural SOD subunit interactions, we can then form a SOD–catalase–Hb protein The poly-Hb–SOD–catalase developed by Chang [2] also showed lower activity, 85–90% of that of native SOD, depend-ing on the conjugation ratio, implydepend-ing that this prepa-ration also suffers from steric hindrance However, the chemically linked Hb–SOD [4] showed identical activ-ity for both conjugated and free SOD, probably owing

to locking of the SOD in the tetrameric form during conjugation

The genetic fusion of Hb and SOD does not seem to perturb the globin structure noticeably, as both the O2 and CO spectra are essentially identical to those of

Hb All peaks in the Soret region correspond well to that of Hb, indicative of full functionality The autoxi-dation rate constants were determined to be 0.18 h)1 for Hb and 0.10 h)1 for SOD–Hb at room tempera-ture The rate constant for SOD–Hb is thus approxi-mately half of that for Hb, although higher than the values reported by Vandegriff (0.007–0.0021 h)1) [18] This may partly be explained by the residual catalase activity, as the Hb in their study was derived from outdated donated blood

An in vitro test was performed to evaluate the antioxidative properties of SOD–Hb SOD–Hb and

Hb were incubated together with a superoxide⁄ H2O2 -generating system The formation of ferrylhemoglobin with SOD–Hb after 30 min was significantly lower (P = 0.0018) than with Hb (Fig 5) FerrylHb is cytotoxic and has been implicated in oxidative stress

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situations in a range of diseases [25,26] The ability to

reduce the formation of this toxic species means that

SOD–Hb has considerable promise for the future

development of a clinical product Interestingly,

extra-cellular Hb polymers with SOD activity, with a

molec-ular mass of over 3800 kDa, occur naturally in the

blood of earthworms [32,33]

Heme degradation of Hb and SOD–Hb by H2O2

was measured by monitoring the fluorescence of the

degradation products The oxyHb first reacts with one

molecule of H2O2, forming oxyferrylHb (HbFe4+=O)

When a second molecule of H2O2 reacts with the

oxy-ferrylHb, metHb and a superoxide radical (Eqns 2–4)

are produced, initiating the degradation process The

damage is irreversible, and leads to a cascade of

reac-tions that ultimately result in iron release and

fluores-cent degradation products The superoxide radical,

which has a lifetime of 0.2 s [27], is perfectly located to

react with the heme group Moreover, the superoxide

exhibits higher reactivity, owing to the heme pocket

environment [28,29] As can be seen in Fig 6, heme

degradation in SOD–Hb was much lower than in Hb,

and both showed an increase in denaturation when the

H2O2 concentration was increased The combination

of SOD and Hb thus protects the heme molecule from

denaturation during oxidative stress in vitro, probably

via a proximity effect

The heme degradation is dependent on the lifetime

of ferrylHb and the susceptibility of the heme to

super-oxide-induced damage The close association of SOD

with Hb can allow removal of the superoxide radicals

quickly, leading to less degradation, as shown in this

study Additional modifications of SOD–Hb, e.g by

introducing mutations affecting ferryl reduction

kinet-ics, may further reduce the Hb toxicity We have

previ-ously shown that either introducing or removing

suitably located tyrosines affects ferryl reduction

kinet-ics in human Hb [26] Introducing the same mutations

in SOD–Hb could result in a SOD–Hb molecule that

is even more suitable for practical use Additionally, to

allow further in vivo studies of our construct, suitable

protein surface protection, such as pegylation or

encapsulation, needs to be developed

In conclusion, the engineered SOD–Hb exhibits a

lower autoxidation rate and higher thermal stability

than Hb alone, and the process creates a homogeneous

link between the Hb and the SOD, which chemical

conjugation does not Additionally, in vitro tests show

that cytotoxic ferrylHb formation is significantly

decreased in the presence of superoxide radicals

Con-sequently, the combination of SOD and Hb protects

the Hb molecule from denaturation during oxidative

stress

Experimental procedures

Construction of human manganese SOD and human SOD–Hb

Please see the Supporting information Primers used for site-directed mutagenesis or cloning can be found in Table S1

Protein expression and purification Protein expression and purification were performed essen-tially as described previously [26] Details can be found in Doc S1

Molecular mass determination Gel filtration chromatography was used for molecular mass determination on an A¨KTA purifier system controlled by unicorn software (GE Healthcare, Uppsala, Sweden) Highly purified protein was loaded on a HiLoad 16⁄ 60 Superdex 200 column (also GE Healthcare), equilibrated with 50 mm phosphate buffer (pH 7.2) containing 0.15 m EDTA, and eluted with the same buffer at a flow rate of 1.0 mLÆmin)1 Standard proteins with molecular masses ranging from 6.5 to 158.0 kDa (GE Healthcare) were used

to produce standard curves

SOD activity assay The assay used to determine SOD activity was a slightly modified version of that described by Ewing [30] In prin-ciple, the assay is based on the ability of SOD to inhibit nitroblue tetrazolium reduction by an aerobic mixture of NADH and prenazine methosulfate, which produces superoxide at nonacidic pH Details can be found in Doc S1

DSC DSC measurements were performed with a Microcal differ-ential scanning calorimeter (Microcal, Northampton, MA, USA) with a cell volume of 0.5072 mL All samples were degassed for 15 min at room temperature prior to scanning Baseline scans were obtained with buffer in both the refer-ence and sample cells, and these were later subtracted from sample scans Protein samples (60 lm Hb or 30 lm SOD– Hb) in 70 mm sodium phosphate (pH 7.2) were scanned in the temperature range 20–90C at a rate of 60 CÆh)1

Heme loss rates The heme exchange rate between metHb and human serum albumin was determined as described by Benesch [19] and

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Jeong [31], with slight modifications Potassium ferricyanide

was added in excess in order to oxidize the proteins to the

ferric form, and this was followed by removal of

ferricya-nide and ferrocyaferricya-nide with a Sephadex G-25 column (GE

Healthcare) equilibrated with 0.05 m bis-Tris and 0.1 m

NaCl (pH 7.5) Each Hb sample was then mixed with

human serum albumin (5 lm final concentration of each),

and 0.5 m Tris buffer (pH 9.05) was added to a total

vol-ume of 2 mL The absorbance (A) at 578 and 620 nm was

then recorded every minute for 90 min, using a Beckman

Coulter DU-800 spectrophotometer The amounts of

metHb and methemalbumin were calculated using the

following two equations:

metHb

½  ¼ 146:03  A578 134:48  A620

and

methemalbumin

½  ¼ 61:95  A578þ 220:01  A620

The data were then fitted to a double-exponential decay

curve, essentially as described by Vandegriff [18]:

Y¼ A  ek fast tþ ek slow t

þ C:

Autoxidation

The autoxidation analysis was performed as described by

Jeong [31], but with a lower Hb concentration of 8 lm CO

was removed by shining light on the sample, which was

kept on ice, while gently oxygenating the solution using a

stream of oxygen gas The reaction was carried out in

0.1 m sodium phosphate (pH 7.0) at room temperature

(20–22C) Spectra from 400 to 700 nm were collected at

specific times, using a Beckman Coulter DU-800

spectro-photometer The baseline was adjusted by setting the

absor-bance at 700 nm to zero The experimental data were then

fitted to a single-exponential equation of the form [18]:

Y¼ DYmax 1  ekt

þ Y0 where Y is the relative metHb concentration (%), DYmaxis

the total relative change in metHb at the end of the

reac-tion, k is the rate constant, t is time, and Y0is the relative

metHb concentration at t = 0

Measurement of ferrylHb formation

FerrylHb formation was measured using xanthine⁄ xanthine

oxidase as the oxidation system, based on a method

described by D’Agnillo [2,3] Ten micromolar Hb or

SOD–Hb in 70 mm sodium phosphate (pH 7.2) was reacted

with 100 lm xanthine and 10 mUÆmL)1 xanthine oxidase,

both from Sigma-Aldrich (Stockholm, Sweden) The Hb

concentration was calculated on the basis of heme, using

the relation: e523= 7.12 mm)1Æcm)1[32] At given times, an

excess of catalase (Roche, Mannheim, Germany) was added

to remove residual H2O2, after which 2 mm sodium sulfide was added; finally, the absorbance at 620 nm (A620 nm) was measured

Measurement of heme degradation by fluorescence

Fluorescence measurements originally described by Nagababu [33] were slightly modified OxyHb (15 lm) was incubated with H2O2(1, 2 or 4 mm) in 50 mm potas-sium phosphate buffer (pH 7.4) in a total volume of

2 mL at 25C Reagent-grade H2O2 (30% v⁄ v) was obtained from Sigma-Aldrich, and standardized using an extinction coefficient of 72.8 m)1Æcm)1 at 230 nm [34] The fluorescence signal was recorded for 30 min at excita-tion and emission wavelengths of 460 and 525 nm, respec-tively, using a fluorimeter (PTI Photon Technology International, London, Canada)

Acknowledgements

This study was supported by European Union Frame-work VI Eurobloodsubstitutes project and the Staff Development Project by the Ministry of Education, Thailand (SY)

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Supporting information

The following supplementary material is available: Doc S1 Experimental procedures

Table S1 Primer sequences

This supplementary material can be found in the online version of this article

Please note: As a service to our authors and readers, this journal provides supporting information supplied

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