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- PDB-8ecx: PA0709 with glyoxal and BME modifications -

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Basic information

Entry
Database: PDB / ID: 8ecx
TitlePA0709 with glyoxal and BME modifications
ComponentsAntibiotic biosynthesis monooxygenase
KeywordsCYTOSOLIC PROTEIN / glyoxal
Function / homologyABM domain profile. / Antibiotic biosynthesis monooxygenase / Antibiotic biosynthesis monooxygenase domain / Dimeric alpha-beta barrel / monooxygenase activity / cytosol / ACETATE ION / Antibiotic biosynthesis monooxygenase
Function and homology information
Biological speciesPseudomonas aeruginosa (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.03 Å
AuthorsCuthbert, B.J. / Goulding, C.W.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS) United States
CitationJournal: To Be Published
Title: Structural characterization of PA0709
Authors: Cuthbert, B.J. / Goulding, C.W. / Ulijasz, A.T.
History
DepositionSep 2, 2022Deposition site: RCSB / Processing site: RCSB
Revision 1.0Sep 27, 2023Provider: repository / Type: Initial release
Revision 1.1Nov 15, 2023Group: Data collection / Derived calculations / Category: chem_comp_atom / chem_comp_bond / struct_conn
Item: _chem_comp_atom.atom_id / _chem_comp_bond.atom_id_1 ..._chem_comp_atom.atom_id / _chem_comp_bond.atom_id_1 / _chem_comp_bond.atom_id_2 / _struct_conn.pdbx_leaving_atom_flag
Revision 2.0Dec 27, 2023Group: Advisory / Atomic model ...Advisory / Atomic model / Author supporting evidence / Data collection / Derived calculations / Polymer sequence / Refinement description / Structure summary
Category: atom_site / atom_site_anisotrop ...atom_site / atom_site_anisotrop / chem_comp / chem_comp_atom / chem_comp_bond / entity_poly_seq / pdbx_contact_author / pdbx_entity_instance_feature / pdbx_poly_seq_scheme / pdbx_refine_tls / pdbx_struct_assembly / pdbx_validate_close_contact / pdbx_validate_torsion / refine / refine_hist / refine_ls_restr / refine_ls_shell / struct_conn / struct_mon_prot_cis
Item: _pdbx_refine_tls.L[1][1] / _pdbx_refine_tls.L[1][2] ..._pdbx_refine_tls.L[1][1] / _pdbx_refine_tls.L[1][2] / _pdbx_refine_tls.L[1][3] / _pdbx_refine_tls.L[2][2] / _pdbx_refine_tls.L[2][3] / _pdbx_refine_tls.L[3][3] / _pdbx_refine_tls.S[1][1] / _pdbx_refine_tls.S[1][2] / _pdbx_refine_tls.S[1][3] / _pdbx_refine_tls.S[2][1] / _pdbx_refine_tls.S[2][2] / _pdbx_refine_tls.S[2][3] / _pdbx_refine_tls.S[3][1] / _pdbx_refine_tls.S[3][2] / _pdbx_refine_tls.S[3][3] / _pdbx_refine_tls.T[1][1] / _pdbx_refine_tls.T[1][2] / _pdbx_refine_tls.T[1][3] / _pdbx_refine_tls.T[2][2] / _pdbx_refine_tls.T[2][3] / _pdbx_refine_tls.T[3][3] / _pdbx_refine_tls.origin_x / _pdbx_refine_tls.origin_y / _pdbx_refine_tls.origin_z / _pdbx_struct_assembly.details / _pdbx_validate_torsion.phi / _pdbx_validate_torsion.psi / _refine.B_iso_mean / _refine.ls_R_factor_R_free / _refine.ls_R_factor_R_work / _refine.ls_R_factor_obs / _refine.overall_SU_ML / _refine.pdbx_overall_phase_error / _refine_hist.number_atoms_total / _refine_hist.pdbx_number_atoms_protein / _refine_ls_restr.dev_ideal / _refine_ls_restr.number / _refine_ls_shell.R_factor_R_free / _refine_ls_shell.R_factor_R_work / _struct_mon_prot_cis.pdbx_omega_angle
Description: Model completeness
Details: We wanted to model two different adducts alongside wt Arg at position 49 for three of the chains. Previously only one adduct was modeled.
Provider: author / Type: Coordinate replacement

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Antibiotic biosynthesis monooxygenase
B: Antibiotic biosynthesis monooxygenase
C: Antibiotic biosynthesis monooxygenase
D: Antibiotic biosynthesis monooxygenase
E: Antibiotic biosynthesis monooxygenase
F: Antibiotic biosynthesis monooxygenase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)71,57620
Polymers70,7166
Non-polymers86014
Water13,944774
1


  • Idetical with deposited unit
  • defined by author&software
  • Evidence: gel filtration
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area15640 Å2
ΔGint-47 kcal/mol
Surface area23300 Å2
MethodPISA
Unit cell
Length a, b, c (Å)109.013, 148.984, 120.184
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number20
Space group name H-MC2221
Space group name HallC2c2
Symmetry operation#1: x,y,z
#2: x,-y,-z
#3: -x,y,-z+1/2
#4: -x,-y,z+1/2
#5: x+1/2,y+1/2,z
#6: x+1/2,-y+1/2,-z
#7: -x+1/2,y+1/2,-z+1/2
#8: -x+1/2,-y+1/2,z+1/2
Components on special symmetry positions
IDModelComponents
11A-314-

HOH

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Components

#1: Protein
Antibiotic biosynthesis monooxygenase / Quinol monooxygenase YgiN


Mass: 11786.025 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Details: C/D/E subunits have HEM/CAR modifications modelled alongside unmodified ARG at Arg49 position
Source: (gene. exp.) Pseudomonas aeruginosa (bacteria) / Production host: Escherichia coli (E. coli) / References: UniProt: A0A072ZNL3
#2: Chemical
ChemComp-ACT / ACETATE ION / Acetate


Mass: 59.044 Da / Num. of mol.: 13 / Source method: obtained synthetically / Formula: C2H3O2
#3: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol


Mass: 92.094 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C3H8O3
#4: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 774 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestY

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 3.45 Å3/Da / Density % sol: 64.35 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / Details: 12 % PEG 4000, 0.1 M sodium acetate pH 5 / Temp details: room temperature

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Data collection

DiffractionMean temperature: 100 K / Ambient temp details: cryo / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 5.0.2 / Wavelength: 1 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jul 22, 2020
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.03→49.64 Å / Num. obs: 63379 / % possible obs: 100 % / Redundancy: 13.4 % / Biso Wilson estimate: 29.36 Å2 / CC1/2: 0.998 / Rmerge(I) obs: 0.149 / Rpim(I) all: 0.061 / Rrim(I) all: 0.162 / Χ2: 1 / Net I/σ(I): 13.5
Reflection shellResolution: 2.03→2.08 Å / Redundancy: 13.4 % / Rmerge(I) obs: 1.302 / Mean I/σ(I) obs: 2.2 / Num. unique obs: 4439 / CC1/2: 0.682 / Rpim(I) all: 0.536 / Rrim(I) all: 1.409 / Χ2: 0.99 / % possible all: 100

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
XDSdata reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: unpublished

Resolution: 2.03→49.64 Å / SU ML: 0.2026 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 18.2779
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.1887 6335 10 %
Rwork0.1648 57009 -
obs0.1672 63344 99.99 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 31.39 Å2
Refinement stepCycle: LAST / Resolution: 2.03→49.64 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms4968 0 58 774 5800
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00335271
X-RAY DIFFRACTIONf_angle_d0.77467116
X-RAY DIFFRACTIONf_chiral_restr0.0439706
X-RAY DIFFRACTIONf_plane_restr0.0041973
X-RAY DIFFRACTIONf_dihedral_angle_d24.5558763
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.03-2.050.26572110.24761896X-RAY DIFFRACTION100
2.05-2.080.28092090.24011887X-RAY DIFFRACTION100
2.08-2.10.25792090.22051881X-RAY DIFFRACTION100
2.1-2.130.27422080.22431872X-RAY DIFFRACTION100
2.13-2.160.2292090.21771873X-RAY DIFFRACTION100
2.16-2.190.2372080.19811876X-RAY DIFFRACTION100
2.19-2.220.21212100.19311887X-RAY DIFFRACTION100
2.22-2.250.23932100.17681893X-RAY DIFFRACTION100
2.25-2.290.22092060.17841858X-RAY DIFFRACTION100
2.29-2.320.23062120.1851904X-RAY DIFFRACTION100
2.32-2.360.21412110.19031896X-RAY DIFFRACTION100
2.36-2.410.22592060.18781861X-RAY DIFFRACTION100
2.41-2.450.21342100.18911889X-RAY DIFFRACTION100
2.45-2.50.21832110.18481893X-RAY DIFFRACTION99.95
2.5-2.560.22142090.17221890X-RAY DIFFRACTION100
2.56-2.620.18722120.16861900X-RAY DIFFRACTION100
2.62-2.680.19192060.16391860X-RAY DIFFRACTION100
2.68-2.760.1862110.16231899X-RAY DIFFRACTION100
2.76-2.840.20592100.16261885X-RAY DIFFRACTION100
2.84-2.930.18412120.15871909X-RAY DIFFRACTION100
2.93-3.030.17842130.16331917X-RAY DIFFRACTION100
3.03-3.150.18892100.16711892X-RAY DIFFRACTION100
3.15-3.30.16942130.1561917X-RAY DIFFRACTION100
3.3-3.470.17882100.14251887X-RAY DIFFRACTION100
3.47-3.690.1672140.14251926X-RAY DIFFRACTION100
3.69-3.970.16872110.13821901X-RAY DIFFRACTION100
3.97-4.370.16592150.13421936X-RAY DIFFRACTION100
4.37-50.13182160.12471936X-RAY DIFFRACTION100
5.01-6.30.16552160.17161954X-RAY DIFFRACTION100
6.31-49.640.19972270.19322034X-RAY DIFFRACTION99.78
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
14.13919610240.799920437234-1.009359330912.18987283089-0.3770028123840.2513217341930.00238128804083-0.01953059432940.0970565996097-0.368392623133-0.04976647231460.139630610058-0.0634612871513-0.0358964105430.01024476839070.2226451641290.02070338911940.004687630190920.2053283705550.005555262404140.15491821755525.50411.9820.295
22.064418645931.928673198113.74096800373.539103519361.591402494023.807325751630.227444307519-0.142320937107-0.175339748389-0.0270114677282-0.0529544659293-0.2337439625010.1612714511840.149056849882-0.2278742466440.2342142803320.0001254360418010.0307927630040.190748172523-0.01657679400090.22403916190237.9216.2266.114
34.35332934766-1.006296384940.8157522370522.654470786930.7377596985782.856703128060.1632647451-0.06962129828790.0856181722765-0.1025084857520.00230780652911-0.137988564092-0.05420780403440.1227266505-0.1470242151990.1576316585450.009456742128630.02288450029070.106042380668-0.01015827246430.12465017887231.3215.0377.579
49.553822640842.827755212990.5120485010222.026142244586.414714028676.586215357840.3089252607010.4381679406360.221374770297-0.7326777957760.140162971985-0.702662657559-0.1952308556270.176593196852-0.365240160150.3145827209770.04211378664320.09100877915470.2473390468230.00122483232830.29595784494844.55312.606-0.458
58.291437449052.476697426665.484120964262.6019496831-1.245828525128.121385313310.2432084453990.511909817546-0.272704806881-0.611202109526-0.0589926334274-0.1600335675710.5128935381720.408398872701-0.1774023921740.2967982813870.02570810810930.0145381675570.147821241562-0.01947226868220.18492225933832.9326.108-5.275
62.93492013741.87734171142.514524931713.788875784563.006336692565.48963018411-0.0991158022758-0.111357039356-0.0254242929905-0.3315418658470.241217020285-0.312412379357-0.5345151749420.246273186611-0.09539088562780.238716376159-0.004714124031730.05969985293180.225094773294-0.002705531244670.23365743778935.37923.1025.235
72.182001652681.2479006036-0.2404046749693.71961198082-1.611576457923.17896946509-0.0147543673916-0.03904181486430.313394148438-0.225322412265-0.06369312247810.086961686224-0.3129150084160.1201752001930.09135025980920.23964817338-0.0009247985471830.02177417659110.19939124456-0.03699097451570.21407722103130.87334.62911.485
81.442077458910.0842283749347-0.5509242638243.599103528-0.1915108209373.2547473380.0215504561941-0.1835070666050.09387816845360.1571674203570.00416893208646-0.0683233385658-0.1147859855820.303964319778-0.01562892078350.1916260509360.0162178405141-0.02779454520220.243150715692-0.02730836224650.187686075333.83328.16919.333
93.074698116761.46372887208-1.39348979126.79754400697-2.330815126294.72280155466-0.0730372059624-0.182150124432-0.07654030880390.191817201290.0666214892438-0.132931508487-0.0672877773044-0.08828271010040.04184617525120.1717704211050.0118826851374-0.01198729309140.19668116467-0.03539137880710.13216579035128.14424.77915.71
101.111399387330.602206847663-0.1272329247972.14943060614-0.2355765064021.9167844703-0.023858742527-0.2296739228240.08782863987190.2777357334890.04114776655370.266845249432-0.125857389862-0.0993877119802-0.00878442128220.1848088651480.0273525651440.01418173472160.225622862839-0.006290780791480.17557984608223.94128.69218.335
111.03623209055-0.803334101049-0.05928554918294.25273266942-1.539295027082.28750798532-0.00682876816080.1465857048060.0300672982376-0.30954177467-0.00691344392449-0.00013622865270.1679957145170.01376733809930.01322525039230.191581124197-0.041084235204-0.02659301486260.2303905517640.009533865246760.16596950612823.67624.815-22.125
121.86786448148-0.4089272646620.5284796059852.9896023127-1.984578059863.58877384859-0.05974811224680.0851689185285-0.0835957250704-0.159193591826-0.0319514461035-0.08170828884880.143702106530.2604038497660.1112782727640.232496971897-0.00524420227198-0.02102584703530.2213031292980.003553532917810.15302237789628.1525.292-16.797
130.9104982621070.503326340691-0.2974962038057.84972416005-3.128921868441.79700093292-0.05151165719930.240745217144-0.0571483016366-0.5077318866320.2289107785920.5225327627640.327182338105-0.275806168108-0.1937258232710.257812573423-0.0393886964876-0.05939042665240.283628704827-0.01045345000340.22824456246815.07324.183-24.206
142.334847075461.471336982361.215298218415.666546529460.5801487637421.02860436775-0.1714590679740.2972910327670.214937852941-0.4123548792520.1216138048160.118177275739-0.08053774452440.1526103398080.08144674386420.210253980719-0.004122483565860.009408145444930.2394050632250.01623395586570.21875003368423.16835.104-14.307
152.97854422899-0.2261025882180.2721750398742.063518633780.2714788187161.7121184193-0.1077767323710.08153402595270.382874813709-0.01131237146140.0868322399943-0.163056311584-0.2799748629420.1876217752250.004284973702880.243825806652-0.0547992305827-0.04858703039410.2364958507720.004751780706060.22144054216836.2742.852-9.565
164.94492185415-0.594026215025-0.9016984291722.047543031680.4280478619772.45059208606-0.06278287277930.4159076663060.0317515382494-0.006468482252120.00147971755462-0.0769486258-0.1020400668760.009825301843250.02681002728940.189627199475-0.0275767962548-0.03184167824740.2072763313540.004349374826930.16974315033130.86238.663-11.725
177.85395257763.269703940022.902682234372.023527853384.17650743943.089239321720.0196893530610.25035110894-0.3914197646730.2652010870870.17374545729-0.7111244436820.02823206642590.593202772804-0.1575704892480.201907471884-0.00908841186619-0.02038030959350.3591016697060.02973148800170.26906420340646.99435.529-8.451
182.2047557117-0.385104947269-0.7902071236972.665873962320.08074019075171.646002173190.106381126081-0.4371225533860.2303636684710.44307140224-0.104569994274-0.306651879057-0.1299722188070.25246157535-0.006805745863820.186009812236-0.0149415907724-0.04523408786730.274308704834-0.02145950799250.20010623196337.39341.052-2.291
196.662909683992.58719906374.550554493377.50057520522.227262790422.0057667675-0.1035010810240.700721699611-0.707274348012-0.4699915002150.0946339177987-0.5948230550631.032015680910.8554424282220.2327112366790.2732781064930.04693182597630.06839155970.331681453201-0.01507829211340.29645109330835.64523.255-19.168
202.0464137895-0.592010512221-1.268749159391.550951784942.05282916184.70794863167-0.08492955581090.0483986617149-0.073383768047-0.005249396222330.1155256540280.3280790388240.1764287806470.00394584835568-0.01355523623420.16676701038-0.00889686594983-0.01409946301190.1437103504570.03901074835910.19498659143210.09219.306-2.061
211.32337634883-0.491696496019-0.5032616036021.2920430410.4367591829212.21135352423-0.0779634911910.0286600389793-0.1243372222550.017565225030.03633862063310.2834849463360.0199554298842-0.3072469280450.03231602992260.19041516581-0.0225695245459-0.01905411892470.2752771558650.01897403501440.2927287689121.18320.350.543
222.7098112109-0.506499380977-2.327810109431.767625609951.190622992368.54541691739-0.2271390734280.0557412671381-0.1652425259510.0215613731337-0.124865949470.294866160342-0.165850025634-0.5419595697350.1858087566440.16799886040.001742465031810.002070104075290.1944402199680.008351595290120.2418509719657.37322.9050.853
231.526918150820.4605480816942.481251873222.02940219089.943281196232.017190930280.123761658489-0.274560481068-0.2787387755020.254666845302-0.0368380345886-0.3147147826190.4770020215820.297731650801-0.09307779815930.31026384614-0.02086776750940.05184364231490.3256552689960.08669251404320.3454281133534.35615.30613.147
247.78976466706-4.72377802511-3.119976208434.977276556143.741196774272.014469158560.0601237780167-0.293349808127-0.7223800609110.4733648970670.04658433658260.4139883964980.555997989169-0.1599739967920.007504688371070.277728131069-0.0359394081506-0.01705263833680.216848712970.04341978772170.3053088200918.0058.7671.411
251.438737829970.9443012709141.192321235686.640466554532.657021538521.56621057841-0.027147748678-0.098396714803-0.1156323868570.1455432141130.02261004916810.2296588646870.0502165495648-0.050882412065-0.03000668216770.1548780790190.003550531469230.03176677139650.1622127408330.02291754272530.18302645260414.55221.6592.959
266.41138288098-0.997938109571-1.133914297128.399579803641.436611225739.18119142362-0.436369362973-0.4615753339790.3111853507540.555446283799-0.00282078673031.20465055157-0.0992122921413-0.9122097105380.3549557350460.14060407179-0.002635519931280.00469087648950.31856351192-0.06868573025580.3599308981925.73636.00911.493
270.8699225922721.246132723250.2526262975322.162453290760.9838237302341.97481533341-0.117277462305-0.05838684824560.712091328394-0.116691861362-0.165959845880.909140706052-0.200493416466-0.2842540568770.254821708090.2238306059580.0249408444826-0.04604167649970.202000720865-0.007289996963940.493354061127.99343.9142.661
282.147075330351.950035653310.181158912092.576555206311.028655005250.762002018411-0.255168931240.182858794680.550522094964-0.4129901437820.08125024059760.640405663904-0.283116019194-0.1709681175460.167912261360.2191633491740.0354214446731-0.08064604329990.2268839906530.03870573095480.3452497995999.72541.346-0.806
291.69865248579-1.595112360940.5667764538854.026115988913.280950539215.93835869699-0.04535958777030.548837018303-0.7139536359930.00962992236816-0.0284700015930.3444616290470.17763347161-0.734417828243-0.07746102111620.174233329028-0.0102533491283-0.1013388450890.3773984200690.04858623561450.3725382886791.76126.269-7.639
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 5:16 )A5 - 16
2X-RAY DIFFRACTION2( CHAIN A AND RESID 17:37 )A17 - 37
3X-RAY DIFFRACTION3( CHAIN A AND RESID 38:62 )A38 - 62
4X-RAY DIFFRACTION4( CHAIN A AND RESID 63:74 )A63 - 74
5X-RAY DIFFRACTION5( CHAIN A AND RESID 75:84 )A75 - 84
6X-RAY DIFFRACTION6( CHAIN A AND ( RESID 85:98 OR RESID 101:102 ) )A85 - 98
7X-RAY DIFFRACTION6( CHAIN A AND ( RESID 85:98 OR RESID 101:102 ) )A101 - 102
8X-RAY DIFFRACTION7( CHAIN B AND RESID 4:16 )B4 - 16
9X-RAY DIFFRACTION8( CHAIN B AND RESID 17:48 )B17 - 48
10X-RAY DIFFRACTION9( CHAIN B AND RESID 49:64 )B49 - 64
11X-RAY DIFFRACTION10( CHAIN B AND ( RESID 65:98 OR RESID 101:102 ) )B65 - 98
12X-RAY DIFFRACTION10( CHAIN B AND ( RESID 65:98 OR RESID 101:102 ) )B101 - 102
13X-RAY DIFFRACTION11( CHAIN C AND RESID 1:37 )C1 - 37
14X-RAY DIFFRACTION12( CHAIN C AND RESID 38:62 )C38 - 62
15X-RAY DIFFRACTION13( CHAIN C AND RESID 63:84 )C63 - 84
16X-RAY DIFFRACTION14( CHAIN C AND ( RESID 85:98 OR RESID 101:102 ) )C85 - 98
17X-RAY DIFFRACTION14( CHAIN C AND ( RESID 85:98 OR RESID 101:102 ) )C101 - 102
18X-RAY DIFFRACTION15( CHAIN D AND RESID 4:37 )D4 - 37
19X-RAY DIFFRACTION16( CHAIN D AND RESID 38:62 )D38 - 62
20X-RAY DIFFRACTION17( CHAIN D AND RESID 63:74 )D63 - 74
21X-RAY DIFFRACTION18( CHAIN D AND RESID 75:91 )D75 - 91
22X-RAY DIFFRACTION19( CHAIN D AND ( RESID 92:98 OR RESID 101:101 ) )D92 - 98
23X-RAY DIFFRACTION19( CHAIN D AND ( RESID 92:98 OR RESID 101:101 ) )D101
24X-RAY DIFFRACTION20( CHAIN E AND RESID 3:16 )E3 - 16
25X-RAY DIFFRACTION21( CHAIN E AND RESID 17:48 )E17 - 48
26X-RAY DIFFRACTION22( CHAIN E AND RESID 49:64 )E49 - 64
27X-RAY DIFFRACTION23( CHAIN E AND RESID 65:74 )E65 - 74
28X-RAY DIFFRACTION24( CHAIN E AND RESID 75:84 )E75 - 84
29X-RAY DIFFRACTION25( CHAIN E AND RESID 85:91 )E85 - 91
30X-RAY DIFFRACTION26( CHAIN E AND ( RESID 92:98 OR RESID 101:102 ) )E92 - 98
31X-RAY DIFFRACTION26( CHAIN E AND ( RESID 92:98 OR RESID 101:102 ) )E101 - 102
32X-RAY DIFFRACTION27( CHAIN F AND RESID 4:37 )F4 - 37
33X-RAY DIFFRACTION28( CHAIN F AND RESID 38:91 )F38 - 91
34X-RAY DIFFRACTION29( CHAIN F AND ( RESID 92:98 OR RESID 101:102 ) )F92 - 98
35X-RAY DIFFRACTION29( CHAIN F AND ( RESID 92:98 OR RESID 101:102 ) )F101 - 102

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