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- PDB-4s37: Crystal structure of R2 pyocin membrane-piercing spike -

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Open data


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Basic information

Entry
Database: PDB / ID: 4s37
TitleCrystal structure of R2 pyocin membrane-piercing spike
ComponentsPhage baseplate protein
KeywordsMETAL BINDING PROTEIN / Cell Puncturing Device / Trimer / beta-helix / Iron-binding / Outer cell membrane piercing
Function / homologyPhage baseplate assembly protein V/Gp45 / Gp5/Type VI secretion system Vgr protein, OB-fold domain / Type VI secretion system/phage-baseplate injector OB domain / Vgr protein, OB-fold domain superfamily / metal ion binding / TRIETHYLENE GLYCOL / Baseplate assembly protein V
Function and homology information
Biological speciesPseudomonas aeruginosa (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.2 Å
AuthorsBrowning, C.B. / Leiman, P.G. / Shneider, M.M.
CitationJournal: To be Published
Title: Crystal structure of R2 pyocin membrane-piercing spike
Authors: Browning, C.B. / Leiman, P.G. / Shneider, M.M.
History
DepositionJan 26, 2015Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jan 27, 2016Provider: repository / Type: Initial release
Revision 1.1Nov 22, 2017Group: Advisory / Refinement description / Category: pdbx_unobs_or_zero_occ_atoms / software / Item: _software.name
Revision 1.2Feb 28, 2024Group: Advisory / Data collection ...Advisory / Data collection / Database references / Derived calculations
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_unobs_or_zero_occ_atoms / struct_conn / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Phage baseplate protein
B: Phage baseplate protein
C: Phage baseplate protein
D: Phage baseplate protein
E: Phage baseplate protein
F: Phage baseplate protein
G: Phage baseplate protein
H: Phage baseplate protein
I: Phage baseplate protein
J: Phage baseplate protein
K: Phage baseplate protein
L: Phage baseplate protein
M: Phage baseplate protein
N: Phage baseplate protein
O: Phage baseplate protein
P: Phage baseplate protein
Q: Phage baseplate protein
R: Phage baseplate protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)354,84986
Polymers349,98818
Non-polymers4,86168
Water43,8302433
1
A: Phage baseplate protein
B: Phage baseplate protein
C: Phage baseplate protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)59,17714
Polymers58,3313
Non-polymers84511
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area23230 Å2
ΔGint-257 kcal/mol
Surface area18840 Å2
MethodPISA
2
D: Phage baseplate protein
E: Phage baseplate protein
F: Phage baseplate protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)59,19317
Polymers58,3313
Non-polymers86214
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area23590 Å2
ΔGint-248 kcal/mol
Surface area18820 Å2
MethodPISA
3
G: Phage baseplate protein
H: Phage baseplate protein
I: Phage baseplate protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)59,37318
Polymers58,3313
Non-polymers1,04115
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area23690 Å2
ΔGint-265 kcal/mol
Surface area19010 Å2
MethodPISA
4
J: Phage baseplate protein
K: Phage baseplate protein
L: Phage baseplate protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)59,34518
Polymers58,3313
Non-polymers1,01415
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area23510 Å2
ΔGint-260 kcal/mol
Surface area19470 Å2
MethodPISA
5
M: Phage baseplate protein
N: Phage baseplate protein
O: Phage baseplate protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)59,14113
Polymers58,3313
Non-polymers81010
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area23190 Å2
ΔGint-247 kcal/mol
Surface area18640 Å2
MethodPISA
6
P: Phage baseplate protein
Q: Phage baseplate protein
R: Phage baseplate protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)58,6196
Polymers58,3313
Non-polymers2883
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area21570 Å2
ΔGint-171 kcal/mol
Surface area18210 Å2
MethodPISA
Unit cell
Length a, b, c (Å)94.945, 137.471, 164.759
Angle α, β, γ (deg.)90.00, 106.56, 90.00
Int Tables number4
Space group name H-MP1211

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Components

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Protein , 1 types, 18 molecules ABCDEFGHIJKLMNOPQR

#1: Protein
Phage baseplate protein / VR2 protein


Mass: 19443.758 Da / Num. of mol.: 18
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Pseudomonas aeruginosa (bacteria)
Gene: VR2, gpV, D480_28305, JF43_02945, NCGM1900_0632, NCGM1984_0630
Plasmid: pET-28-based / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q9S581

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Non-polymers , 6 types, 2501 molecules

#2: Chemical...
ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 35 / Source method: obtained synthetically / Formula: SO4
#3: Chemical
ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 19 / Source method: obtained synthetically / Formula: Cl
#4: Chemical
ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL


Mass: 62.068 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: C2H6O2
#5: Chemical
ChemComp-CA / CALCIUM ION


Mass: 40.078 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Ca
#6: Chemical ChemComp-PGE / TRIETHYLENE GLYCOL


Mass: 150.173 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C6H14O4
#7: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 2433 / Source method: isolated from a natural source / Formula: H2O

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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: 2.94 Å3/Da / Density % sol: 58.23 %
Crystal growTemperature: 291 K / Method: vapor diffusion, hanging drop / pH: 8.5
Details: 60% PEG 400, 100mM NaSO4, 100mM Bis-Tris, pH 8.5, 18mg/ml protein, VAPOR DIFFUSION, HANGING DROP, temperature 291K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X06SA / Wavelength: 1 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Feb 7, 2011
RadiationMonochromator: Si (111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.2→49.26 Å / Num. obs: 203160 / % possible obs: 98.8 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 2 / Redundancy: 4.4 % / Rmerge(I) obs: 0.05 / Rsym value: 0.063 / Net I/σ(I): 15.1
Reflection shellResolution: 2.2→2.32 Å / Redundancy: 4 % / Rmerge(I) obs: 0.414 / Mean I/σ(I) obs: 3.2 / Num. unique all: 28488 / Rsym value: 0.467 / % possible all: 95.3

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Processing

Software
NameVersionClassification
RemDAqdata collection
PHASERphasing
PHENIX(phenix.refine: 1.8.2_1309)refinement
XDSdata reduction
SCALAdata scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.2→49.186 Å / SU ML: 0.24 / σ(F): 2 / Phase error: 19.62 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2079 10157 5 %
Rwork0.1625 --
obs0.1648 203160 99.12 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 2.2→49.186 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms22839 0 238 2433 25510
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00424564
X-RAY DIFFRACTIONf_angle_d0.88933604
X-RAY DIFFRACTIONf_dihedral_angle_d10.7088652
X-RAY DIFFRACTIONf_chiral_restr0.0573742
X-RAY DIFFRACTIONf_plane_restr0.0034351
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.2-2.22560.28752910.23075536X-RAY DIFFRACTION86
2.2256-2.25170.24973400.2046449X-RAY DIFFRACTION100
2.2517-2.27920.2633380.20166421X-RAY DIFFRACTION100
2.2792-2.30810.25453420.19326498X-RAY DIFFRACTION100
2.3081-2.33840.23393380.18576418X-RAY DIFFRACTION100
2.3384-2.37050.2243400.17676465X-RAY DIFFRACTION100
2.3705-2.40430.23283380.1776427X-RAY DIFFRACTION100
2.4043-2.44020.21573430.17216518X-RAY DIFFRACTION100
2.4402-2.47830.24373380.17426414X-RAY DIFFRACTION100
2.4783-2.5190.23253390.1666440X-RAY DIFFRACTION100
2.519-2.56240.22633420.16686497X-RAY DIFFRACTION100
2.5624-2.6090.21433410.16526488X-RAY DIFFRACTION100
2.609-2.65920.23073400.16426459X-RAY DIFFRACTION100
2.6592-2.71340.22633400.16986462X-RAY DIFFRACTION100
2.7134-2.77240.21913380.17356421X-RAY DIFFRACTION100
2.7724-2.83690.23763410.17056477X-RAY DIFFRACTION100
2.8369-2.90790.23843420.17766486X-RAY DIFFRACTION100
2.9079-2.98650.22793410.16946486X-RAY DIFFRACTION100
2.9865-3.07430.22413400.16536457X-RAY DIFFRACTION100
3.0743-3.17360.19743400.16026461X-RAY DIFFRACTION100
3.1736-3.2870.19943400.16096454X-RAY DIFFRACTION100
3.287-3.41850.20943370.15756429X-RAY DIFFRACTION99
3.4185-3.57410.20853400.15626458X-RAY DIFFRACTION99
3.5741-3.76240.19743410.15126479X-RAY DIFFRACTION100
3.7624-3.99810.17753410.14386464X-RAY DIFFRACTION99
3.9981-4.30660.17333400.13346471X-RAY DIFFRACTION99
4.3066-4.73970.16993390.12616411X-RAY DIFFRACTION98
4.7397-5.42480.18593390.14296454X-RAY DIFFRACTION99
5.4248-6.83170.19933450.16596553X-RAY DIFFRACTION100
6.8317-49.1980.23133430.21166550X-RAY DIFFRACTION99
Refinement TLS params.

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

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
10.2264-0.3828-0.3620.63120.58180.53340.16-0.1234-0.28370.11540.0604-0.30770.77970.19880.33740.49990.0512-0.13390.23860.05590.455214.8425-13.823674.2575
20.48040.4486-0.10220.4591-0.05780.07250.1327-0.0371-0.17040.06240.0203-0.11030.17730.02570.00180.34830.0078-0.07940.22310.01750.23689.9733-2.957773.8254
30.04620.09130.05350.1570.09770.0862-0.1333-0.1186-0.14630.88220.00630.00220.13920.15160.00090.4593-0.0694-0.0060.36070.04360.33377.553913.643881.3519
40.18930.13890.00380.26220.10370.05660.2367-0.01490.14770.7923-0.08790.5518-0.12280.0144-0.00180.4067-0.07630.0570.26580.0690.33491.360620.187981.5833
50.0350.00510.02640.0073-0.01360.03340.25170.1976-0.25850.09170.1221-0.3070.11390.1184-00.4083-0.0563-0.1090.35220.03460.366517.475322.919174.2801
61.29070.38310.27830.15940.15630.1732-0.11190.3457-0.3397-0.0352-0.0872-0.873-0.13990.2429-0.17320.3738-0.0812-0.10960.30890.09550.361218.703529.639972.5451
70.01410.0534-0.03050.3238-0.16280.0762-0.06270.51450.01470.3633-0.07140.5062-0.21970.0035-0.00780.3021-0.0345-0.00220.36820.02080.38429.395640.433467.7536
80.0288-0.12830.02520.6122-0.10540.0229-0.10420.0417-0.0990.86460.16270.0792-0.19480.13560.00340.5578-0.0272-0.06820.3450.0520.282916.873546.134677.5972
90.3402-0.1972-0.22240.26340.00910.72010.1551-0.1880.30670.70750.3046-0.0869-0.51530.49430.01920.5945-0.0807-0.0560.32110.04360.379912.991356.269873.1276
100.32980.1923-0.13760.1274-0.08690.0690.1427-0.2501-0.20740.28550.02170.28050.3977-0.11240.16890.4647-0.0773-0.0530.23770.08740.3891-6.8395-11.310381.6347
110.46960.4164-0.30780.78830.10440.38940.0567-0.03540.02850.11930.05550.25860.1501-0.0309-00.3459-0.0324-0.03390.2790.08410.3598-1.47474.044274.1504
120.0011-0.0106-0.00020.0706-0.04770.03620.01770.1837-0.2029-0.30580.06390.31820.0943-0.0163-0.00020.4165-0.0266-0.0810.34280.0320.46163.543420.275562.2199
130.27160.35610.00890.9314-0.21510.09830.2031-0.32980.1081.2049-0.1750.2755-0.2697-0.0761-0.02380.5021-0.06050.03550.3030.04170.35895.810229.546780.0524
140.42440.05320.33170.4437-0.46170.8028-0.0825-0.05870.25380.638-0.1339-0.2503-0.57120.2288-0.17190.4184-0.1022-0.05580.31780.06930.25615.217847.445873.046
150.29820.0619-0.04520.1795-0.04560.02680.17410.2371-0.1613-0.34640.07640.57660.5419-0.06640.02170.6195-0.079-0.11240.27260.01980.3064-1.5407-15.962961.4498
160.33970.3959-0.11410.9589-0.09340.0521-0.13310.1796-0.1221-0.10330.40540.26170.4698-0.09750.37630.4773-0.0932-0.18870.29450.03240.3518-4.625-6.133156.2539
170.31810.14020.22510.7184-0.14360.22810.01460.1033-0.0965-0.20230.07560.06010.0737-0.09020.02330.323-0.0606-0.06550.21160.0080.21481.9246-0.744164.9271
180.0199-0.05880.00170.1298-0.00040.0007-0.06990.1162-0.10910.00820.1138-0.1755-0.06130.1574-0.00010.33760.0064-0.02640.42640.01280.345714.188112.636766.8839
190.01080.0144-0.00970.0292-0.01890.0093-0.0998-0.18430.190.1439-0.0761-0.68560.05960.34920.00040.3919-0.0115-0.10440.33120.06720.376218.866516.545273.7311
200.04140.07-0.01060.1045-0.01840.023-0.06720.26350.2879-0.08390.08490.3016-0.0927-0.07090.00040.2642-0.0520.00870.23120.04440.2816.390125.911164.4581
211.8056-0.4134-0.83250.4790.01160.6421-0.1230.4743-0.3019-0.409700.34660.087-0.22910.01120.2322-0.07270.02410.20910.05480.25386.165832.542866.1961
220.48530.0339-0.79930.0426-0.13541.48580.0917-0.411-0.00821.0755-0.1663-0.023-0.08180.3387-0.04410.524-0.05420.00860.22070.00940.2919.034540.051779.1613
230.2679-0.1495-0.2270.25190.1010.4039-0.0712-0.2960.48090.8568-0.0144-0.205-0.42790.43270.0090.5692-0.091-0.0440.34040.04030.369116.350651.632673.4909
240.31910.1196-0.09550.42740.18510.16990.1516-0.0366-0.2219-0.05580.0252-0.010.5351-0.23420.56920.61510.0149-0.20880.3595-0.09420.4413-12.4723-10.943915.2453
250.1712-0.28720.02780.60920.34740.77790.15190.0347-0.1356-0.07810.0072-0.24830.15740.2210.05380.32490.0317-0.11120.3331-0.0790.2977-6.31514.413321.7144
260.04120.03080.03280.05630.00420.01790.2034-0.0424-0.2242-0.46150.0415-0.24630.12250.27620.00010.30380.0324-0.02650.496-0.09910.35674.846720.59829.0153
270.4876-0.8313-0.01124.24230.54150.09430.07820.56260.0618-0.87390.10090.3487-0.0662-0.2445-0.18940.1273-0.0088-0.08820.2977-0.05580.2499-11.929831.019324.8652
281.00370.6179-0.21740.6836-0.70171.11130.0997-0.4019-0.0283-0.0014-0.19030.1267-0.23360.1736-0.0610.17880.0362-0.00140.3917-0.12320.3855-8.437640.278239.2082
290.0151-0.02270.05380.1292-0.04830.140.03680.11620.2839-0.2258-0.13120.2161-0.25250.1588-0.00010.25870.0395-0.03390.3516-0.04960.3799-5.942553.804633.199
300.64030.0541-0.07660.012-0.09032.22430.2003-0.1203-0.5178-0.23040.1050.1431.191-0.04670.15750.70390.2209-0.32230.4111-0.17360.65584.4633-15.324227.2902
310.0394-0.08960.08580.4528-0.48230.72930.1213-0.2307-0.1805-0.42370.26840.01240.74530.3250.00650.59440.2433-0.17060.78-0.21790.626210.819-6.501825.1528
320.76530.19660.1950.5815-0.29530.4370.1738-0.0594-0.10970.0834-0.0015-0.1590.39030.2530.30120.36150.0802-0.12290.3629-0.0920.3332-0.294.019631.6705
330.327-0.28290.10530.4611-0.24460.15520.1071-0.38550.16190.49210.16140.18460.0590.18740.05230.2796-0.0316-0.07630.3044-0.04350.3536-10.935819.001440.2441
340.00230.02050.02250.10210.10310.10240.02720.1707-0.0906-0.16380.1597-0.2116-0.05850.33110.01380.24180.0182-0.07510.3194-0.04780.26952.310226.618830.5061
350.02960.1863-0.05151.2639-0.37940.11910.0990.1691-0.1705-0.2432-0.0071-0.62460.21960.7026-0.14340.1868-0.0375-0.01190.329-0.08870.2031.464333.33329.6029
361.67710.24790.06151.26870.39710.3779-0.011-0.11520.1934-0.0546-0.0480.61280.0427-0.37950.2410.11170.0512-0.15980.2677-0.07090.2981-11.922641.514427.7728
370.0999-0.05450.09550.6422-0.1490.1150.177-0.30260.2671-0.0447-0.03850.4386-0.15820.08290.02040.21290.00820.00130.3826-0.07170.3967-7.006953.713334.8551
381.55370.6534-1.10340.295-0.48970.77-0.11490.1416-0.82420.20510.0395-0.4280.9697-0.0709-1.52780.9397-0.0242-0.35960.4001-0.05170.7724-10.5381-19.610533.3019
390.064-0.1222-0.02330.2130.05420.15410.275-0.1734-0.37370.09350.00060.22290.3932-0.08380.09760.5852-0.089-0.22130.37370.04830.4448-12.2971-8.938542.0831
400.85160.2319-0.19730.06840.00070.59530.2825-0.0612-0.34380.26780.0301-0.03060.623-0.11310.3140.4507-0.0028-0.20480.3173-0.02220.3749-7.9382-3.18735.0086
410.00850.00280.0020.0146-0.01270.010.251-0.1824-0.07290.2758-0.17180.1486-0.0066-0.31690.00010.3928-0.0004-0.04710.4661-0.06850.3947-21.24246.817824.5183
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1320.0043-0.02150.00650.0931-0.03430.0137-0.06670.2668-0.2975-0.2405-0.05930.61960.3705-0.14530.00040.34890.09160.04110.3580.04330.5202-61.351331.823526.6168
1330.1013-0.219-0.12910.46870.28130.1711-0.161-0.4343-0.10170.4140.1067-0.22430.14760.41530.03720.26290.08750.00860.70730.06210.4296-56.612840.549937.988
1340.9345-0.05810.42410.16350.09510.32290.1819-0.32610.2084-0.20940.0615-0.4009-0.23490.83190.17090.26670.01180.08570.60850.02030.4135-54.561253.198130.3746
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 9:44 )A9 - 44
2X-RAY DIFFRACTION2( CHAIN A AND RESID 45:95 )A45 - 95
3X-RAY DIFFRACTION3( CHAIN A AND RESID 96:111 )A96 - 111
4X-RAY DIFFRACTION4( CHAIN A AND RESID 112:120 )A112 - 120
5X-RAY DIFFRACTION5( CHAIN A AND RESID 121:130 )A121 - 130
6X-RAY DIFFRACTION6( CHAIN A AND RESID 131:145 )A131 - 145
7X-RAY DIFFRACTION7( CHAIN A AND RESID 146:155 )A146 - 155
8X-RAY DIFFRACTION8( CHAIN A AND RESID 156:165 )A156 - 165
9X-RAY DIFFRACTION9( CHAIN A AND RESID 166:176 )A166 - 176
10X-RAY DIFFRACTION10( CHAIN B AND RESID 4:44 )B4 - 44
11X-RAY DIFFRACTION11( CHAIN B AND RESID 45:111 )B45 - 111
12X-RAY DIFFRACTION12( CHAIN B AND RESID 112:120 )B112 - 120
13X-RAY DIFFRACTION13( CHAIN B AND RESID 121:145 )B121 - 145
14X-RAY DIFFRACTION14( CHAIN B AND RESID 146:177 )B146 - 177
15X-RAY DIFFRACTION15( CHAIN C AND RESID 6:25 )C6 - 25
16X-RAY DIFFRACTION16( CHAIN C AND RESID 26:44 )C26 - 44
17X-RAY DIFFRACTION17( CHAIN C AND RESID 45:95 )C45 - 95
18X-RAY DIFFRACTION18( CHAIN C AND RESID 96:111 )C96 - 111
19X-RAY DIFFRACTION19( CHAIN C AND RESID 112:120 )C112 - 120
20X-RAY DIFFRACTION20( CHAIN C AND RESID 121:130 )C121 - 130
21X-RAY DIFFRACTION21( CHAIN C AND RESID 131:145 )C131 - 145
22X-RAY DIFFRACTION22( CHAIN C AND RESID 146:155 )C146 - 155
23X-RAY DIFFRACTION23( CHAIN C AND RESID 156:177 )C156 - 177
24X-RAY DIFFRACTION24( CHAIN D AND RESID 4:44 )D4 - 44
25X-RAY DIFFRACTION25( CHAIN D AND RESID 45:111 )D45 - 111
26X-RAY DIFFRACTION26( CHAIN D AND RESID 112:120 )D112 - 120
27X-RAY DIFFRACTION27( CHAIN D AND RESID 121:145 )D121 - 145
28X-RAY DIFFRACTION28( CHAIN D AND RESID 146:155 )D146 - 155
29X-RAY DIFFRACTION29( CHAIN D AND RESID 156:176 )D156 - 176
30X-RAY DIFFRACTION30( CHAIN E AND RESID 6:25 )E6 - 25
31X-RAY DIFFRACTION31( CHAIN E AND RESID 26:44 )E26 - 44
32X-RAY DIFFRACTION32( CHAIN E AND RESID 45:111 )E45 - 111
33X-RAY DIFFRACTION33( CHAIN E AND RESID 112:120 )E112 - 120
34X-RAY DIFFRACTION34( CHAIN E AND RESID 121:130 )E121 - 130
35X-RAY DIFFRACTION35( CHAIN E AND RESID 131:145 )E131 - 145
36X-RAY DIFFRACTION36( CHAIN E AND RESID 146:155 )E146 - 155
37X-RAY DIFFRACTION37( CHAIN E AND RESID 156:177 )E156 - 177
38X-RAY DIFFRACTION38( CHAIN F AND RESID 2:25 )F2 - 25
39X-RAY DIFFRACTION39( CHAIN F AND RESID 26:44 )F26 - 44
40X-RAY DIFFRACTION40( CHAIN F AND RESID 45:85 )F45 - 85
41X-RAY DIFFRACTION41( CHAIN F AND RESID 86:95 )F86 - 95
42X-RAY DIFFRACTION42( CHAIN F AND RESID 96:111 )F96 - 111
43X-RAY DIFFRACTION43( CHAIN F AND RESID 112:120 )F112 - 120
44X-RAY DIFFRACTION44( CHAIN F AND RESID 121:130 )F121 - 130
45X-RAY DIFFRACTION45( CHAIN F AND RESID 131:145 )F131 - 145
46X-RAY DIFFRACTION46( CHAIN F AND RESID 146:155 )F146 - 155
47X-RAY DIFFRACTION47( CHAIN F AND RESID 156:165 )F156 - 165
48X-RAY DIFFRACTION48( CHAIN F AND RESID 166:176 )F166 - 176
49X-RAY DIFFRACTION49( CHAIN G AND RESID 2:44 )G2 - 44
50X-RAY DIFFRACTION50( CHAIN G AND RESID 45:111 )G45 - 111
51X-RAY DIFFRACTION51( CHAIN G AND RESID 112:120 )G112 - 120
52X-RAY DIFFRACTION52( CHAIN G AND RESID 121:145 )G121 - 145
53X-RAY DIFFRACTION53( CHAIN G AND RESID 146:176 )G146 - 176
54X-RAY DIFFRACTION54( CHAIN H AND RESID 2:25 )H2 - 25
55X-RAY DIFFRACTION55( CHAIN H AND RESID 26:54 )H26 - 54
56X-RAY DIFFRACTION56( CHAIN H AND RESID 55:111 )H55 - 111
57X-RAY DIFFRACTION57( CHAIN H AND RESID 112:120 )H112 - 120
58X-RAY DIFFRACTION58( CHAIN H AND RESID 121:130 )H121 - 130
59X-RAY DIFFRACTION59( CHAIN H AND RESID 131:155 )H131 - 155
60X-RAY DIFFRACTION60( CHAIN H AND RESID 156:178 )H156 - 178
61X-RAY DIFFRACTION61( CHAIN I AND RESID 3:44 )I3 - 44
62X-RAY DIFFRACTION62( CHAIN I AND RESID 45:111 )I45 - 111
63X-RAY DIFFRACTION63( CHAIN I AND RESID 112:120 )I112 - 120
64X-RAY DIFFRACTION64( CHAIN I AND RESID 121:145 )I121 - 145
65X-RAY DIFFRACTION65( CHAIN I AND RESID 146:155 )I146 - 155
66X-RAY DIFFRACTION66( CHAIN I AND RESID 156:177 )I156 - 177
67X-RAY DIFFRACTION67( CHAIN J AND RESID 2:25 )J2 - 25
68X-RAY DIFFRACTION68( CHAIN J AND RESID 26:44 )J26 - 44
69X-RAY DIFFRACTION69( CHAIN J AND RESID 45:111 )J45 - 111
70X-RAY DIFFRACTION70( CHAIN J AND RESID 112:120 )J112 - 120
71X-RAY DIFFRACTION71( CHAIN J AND RESID 121:130 )J121 - 130
72X-RAY DIFFRACTION72( CHAIN J AND RESID 131:145 )J131 - 145
73X-RAY DIFFRACTION73( CHAIN J AND RESID 146:155 )J146 - 155
74X-RAY DIFFRACTION74( CHAIN J AND RESID 156:176 )J156 - 176
75X-RAY DIFFRACTION75( CHAIN K AND RESID 2:44 )K2 - 44
76X-RAY DIFFRACTION76( CHAIN K AND RESID 45:95 )K45 - 95
77X-RAY DIFFRACTION77( CHAIN K AND RESID 96:120 )K96 - 120
78X-RAY DIFFRACTION78( CHAIN K AND RESID 121:130 )K121 - 130
79X-RAY DIFFRACTION79( CHAIN K AND RESID 131:145 )K131 - 145
80X-RAY DIFFRACTION80( CHAIN K AND RESID 146:155 )K146 - 155
81X-RAY DIFFRACTION81( CHAIN K AND RESID 156:177 )K156 - 177
82X-RAY DIFFRACTION82( CHAIN L AND RESID 2:44 )L2 - 44
83X-RAY DIFFRACTION83( CHAIN L AND RESID 45:68 )L45 - 68
84X-RAY DIFFRACTION84( CHAIN L AND RESID 69:95 )L69 - 95
85X-RAY DIFFRACTION85( CHAIN L AND RESID 96:111 )L96 - 111
86X-RAY DIFFRACTION86( CHAIN L AND RESID 112:120 )L112 - 120
87X-RAY DIFFRACTION87( CHAIN L AND RESID 121:130 )L121 - 130
88X-RAY DIFFRACTION88( CHAIN L AND RESID 131:145 )L131 - 145
89X-RAY DIFFRACTION89( CHAIN L AND RESID 146:155 )L146 - 155
90X-RAY DIFFRACTION90( CHAIN L AND RESID 156:176 )L156 - 176
91X-RAY DIFFRACTION91( CHAIN M AND RESID 5:44 )M5 - 44
92X-RAY DIFFRACTION92( CHAIN M AND RESID 45:95 )M45 - 95
93X-RAY DIFFRACTION93( CHAIN M AND RESID 96:111 )M96 - 111
94X-RAY DIFFRACTION94( CHAIN M AND RESID 112:120 )M112 - 120
95X-RAY DIFFRACTION95( CHAIN M AND RESID 121:145 )M121 - 145
96X-RAY DIFFRACTION96( CHAIN M AND RESID 146:155 )M146 - 155
97X-RAY DIFFRACTION97( CHAIN M AND RESID 156:176 )M156 - 176
98X-RAY DIFFRACTION98( CHAIN N AND RESID 6:44 )N6 - 44
99X-RAY DIFFRACTION99( CHAIN N AND RESID 45:111 )N45 - 111
100X-RAY DIFFRACTION100( CHAIN N AND RESID 112:120 )N112 - 120
101X-RAY DIFFRACTION101( CHAIN N AND RESID 121:145 )N121 - 145
102X-RAY DIFFRACTION102( CHAIN N AND RESID 146:155 )N146 - 155
103X-RAY DIFFRACTION103( CHAIN N AND RESID 156:176 )N156 - 176
104X-RAY DIFFRACTION104( CHAIN O AND RESID 4:15 )O4 - 15
105X-RAY DIFFRACTION105( CHAIN O AND RESID 16:44 )O16 - 44
106X-RAY DIFFRACTION106( CHAIN O AND RESID 45:95 )O45 - 95
107X-RAY DIFFRACTION107( CHAIN O AND RESID 96:111 )O96 - 111
108X-RAY DIFFRACTION108( CHAIN O AND RESID 112:130 )O112 - 130
109X-RAY DIFFRACTION109( CHAIN O AND RESID 131:155 )O131 - 155
110X-RAY DIFFRACTION110( CHAIN O AND RESID 156:177 )O156 - 177
111X-RAY DIFFRACTION111( CHAIN P AND RESID 11:25 )P11 - 25
112X-RAY DIFFRACTION112( CHAIN P AND RESID 26:44 )P26 - 44
113X-RAY DIFFRACTION113( CHAIN P AND RESID 45:111 )P45 - 111
114X-RAY DIFFRACTION114( CHAIN P AND RESID 112:120 )P112 - 120
115X-RAY DIFFRACTION115( CHAIN P AND RESID 121:145 )P121 - 145
116X-RAY DIFFRACTION116( CHAIN P AND RESID 146:155 )P146 - 155
117X-RAY DIFFRACTION117( CHAIN P AND RESID 156:176 )P156 - 176
118X-RAY DIFFRACTION118( CHAIN Q AND RESID 12:25 )Q12 - 25
119X-RAY DIFFRACTION119( CHAIN Q AND RESID 26:44 )Q26 - 44
120X-RAY DIFFRACTION120( CHAIN Q AND RESID 45:68 )Q45 - 68
121X-RAY DIFFRACTION121( CHAIN Q AND RESID 69:111 )Q69 - 111
122X-RAY DIFFRACTION122( CHAIN Q AND RESID 112:120 )Q112 - 120
123X-RAY DIFFRACTION123( CHAIN Q AND RESID 121:145 )Q121 - 145
124X-RAY DIFFRACTION124( CHAIN Q AND RESID 146:155 )Q146 - 155
125X-RAY DIFFRACTION125( CHAIN Q AND RESID 156:177 )Q156 - 177
126X-RAY DIFFRACTION126( CHAIN R AND RESID 9:25 )R9 - 25
127X-RAY DIFFRACTION127( CHAIN R AND RESID 26:44 )R26 - 44
128X-RAY DIFFRACTION128( CHAIN R AND RESID 45:95 )R45 - 95
129X-RAY DIFFRACTION129( CHAIN R AND RESID 96:111 )R96 - 111
130X-RAY DIFFRACTION130( CHAIN R AND RESID 112:120 )R112 - 120
131X-RAY DIFFRACTION131( CHAIN R AND RESID 121:130 )R121 - 130
132X-RAY DIFFRACTION132( CHAIN R AND RESID 131:145 )R131 - 145
133X-RAY DIFFRACTION133( CHAIN R AND RESID 146:155 )R146 - 155
134X-RAY DIFFRACTION134( CHAIN R AND RESID 156:177 )R156 - 177

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