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- PDB-7jqp: The Phi-28 gp11 DNA packaging Motor -

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Basic information

Entry
Database: PDB / ID: 7jqp
TitleThe Phi-28 gp11 DNA packaging Motor
ComponentsEncapsidation protein
KeywordsVIRAL PROTEIN / ATPase / DNA PACKAGING / MOTOR / PHAGE / ASCE FOLD
Function / homologyPodovirus DNA packaging protein / Podovirus DNA encapsidation protein (Gp16) / Encapsidation protein
Function and homology information
Biological speciesLactococcus phage asccphi28 (virus)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 2.89 Å
AuthorsMorais, M.C. / White, M.A. / Dill, E.
Funding support United States, 2items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM095516 United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM122979 United States
CitationJournal: Nucleic Acids Res. / Year: 2021
Title: Atomistic basis of force generation, translocation, and coordination in a viral genome packaging motor.
Authors: Pajak, J. / Dill, E. / Reyes-Aldrete, E. / White, M.A. / Kelch, B.A. / Jardine, P.J. / Arya, G. / Morais, M.C.
History
DepositionAug 11, 2020Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jun 16, 2021Provider: repository / Type: Initial release
Revision 1.1Jul 14, 2021Group: Database references / Category: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID
Revision 1.2Oct 18, 2023Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.3Nov 15, 2023Group: Data collection / Category: chem_comp_atom / chem_comp_bond / Item: _chem_comp_atom.atom_id / _chem_comp_bond.atom_id_2

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Encapsidation protein
B: Encapsidation protein
C: Encapsidation protein
D: Encapsidation protein
E: Encapsidation protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)225,83010
Polymers225,3495
Non-polymers4805
Water1086
1


  • Idetical with deposited unit
  • defined by author&software
  • Evidence: SAXS, In solution Gp11 forms a dimer of the crystallographic pentamer with D5 symmetry
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area19430 Å2
ΔGint-133 kcal/mol
Surface area80330 Å2
MethodPISA
Unit cell
Length a, b, c (Å)110.900, 110.900, 351.800
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number96
Space group name H-MP43212
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11(chain A and (resid 9 through 11 or resid 13...
21(chain B and (resid 9 through 11 or resid 13...
31(chain C and (resid 9 through 11 or resid 13...
41(chain D and (resid 9 through 11 or resid 13...
51(chain E and (resid 9 through 11 or (resid 13...

NCS domain segments:
Dom-IDComponent-IDEns-IDSelection detailsAuth asym-IDAuth seq-ID
111(chain A and (resid 9 through 11 or resid 13...A9 - 11
121(chain A and (resid 9 through 11 or resid 13...A13 - 15
131(chain A and (resid 9 through 11 or resid 13...A17 - 62
141(chain A and (resid 9 through 11 or resid 13...A64 - 72
151(chain A and (resid 9 through 11 or resid 13...A74 - 75
161(chain A and (resid 9 through 11 or resid 13...A77 - 86
171(chain A and (resid 9 through 11 or resid 13...A0
181(chain A and (resid 9 through 11 or resid 13...A94 - 956
191(chain A and (resid 9 through 11 or resid 13...A5 - 368
1101(chain A and (resid 9 through 11 or resid 13...A5 - 368
1111(chain A and (resid 9 through 11 or resid 13...A5 - 368
1121(chain A and (resid 9 through 11 or resid 13...A5 - 368
1131(chain A and (resid 9 through 11 or resid 13...A5 - 368
1141(chain A and (resid 9 through 11 or resid 13...A5 - 368
211(chain B and (resid 9 through 11 or resid 13...B9 - 11
221(chain B and (resid 9 through 11 or resid 13...B13 - 15
231(chain B and (resid 9 through 11 or resid 13...B17 - 62
241(chain B and (resid 9 through 11 or resid 13...B64 - 72
251(chain B and (resid 9 through 11 or resid 13...B74 - 75
261(chain B and (resid 9 through 11 or resid 13...B77 - 86
271(chain B and (resid 9 through 11 or resid 13...B0
281(chain B and (resid 9 through 11 or resid 13...B94 - 956
291(chain B and (resid 9 through 11 or resid 13...B8 - 367
2101(chain B and (resid 9 through 11 or resid 13...B8 - 367
2111(chain B and (resid 9 through 11 or resid 13...B8 - 367
2121(chain B and (resid 9 through 11 or resid 13...B8 - 367
2131(chain B and (resid 9 through 11 or resid 13...B8 - 367
2141(chain B and (resid 9 through 11 or resid 13...B8 - 367
311(chain C and (resid 9 through 11 or resid 13...C9 - 11
321(chain C and (resid 9 through 11 or resid 13...C13 - 15
331(chain C and (resid 9 through 11 or resid 13...C17 - 62
341(chain C and (resid 9 through 11 or resid 13...C64
351(chain C and (resid 9 through 11 or resid 13...C77 - 86
361(chain C and (resid 9 through 11 or resid 13...C94 - 95
371(chain C and (resid 9 through 11 or resid 13...C97 - 109
381(chain C and (resid 9 through 11 or resid 13...C97 - 109
391(chain C and (resid 9 through 11 or resid 13...C111 - 133
3101(chain C and (resid 9 through 11 or resid 13...C137 - 151
3111(chain C and (resid 9 through 11 or resid 13...C160 - 161
3121(chain C and (resid 9 through 11 or resid 13...C162
3131(chain C and (resid 9 through 11 or resid 13...C7 - 368
3141(chain C and (resid 9 through 11 or resid 13...C7 - 368
3151(chain C and (resid 9 through 11 or resid 13...C7 - 368
3161(chain C and (resid 9 through 11 or resid 13...C7 - 368
3171(chain C and (resid 9 through 11 or resid 13...C7 - 368
411(chain D and (resid 9 through 11 or resid 13...D9 - 11
421(chain D and (resid 9 through 11 or resid 13...D13 - 15
431(chain D and (resid 9 through 11 or resid 13...D17 - 62
441(chain D and (resid 9 through 11 or resid 13...D64
451(chain D and (resid 9 through 11 or resid 13...D77 - 86
461(chain D and (resid 9 through 11 or resid 13...D94 - 95
471(chain D and (resid 9 through 11 or resid 13...D97 - 106
481(chain D and (resid 9 through 11 or resid 13...D8 - 368
491(chain D and (resid 9 through 11 or resid 13...D107
4101(chain D and (resid 9 through 11 or resid 13...D8 - 368
4111(chain D and (resid 9 through 11 or resid 13...D8 - 368
4121(chain D and (resid 9 through 11 or resid 13...D8 - 368
4131(chain D and (resid 9 through 11 or resid 13...D8 - 368
4141(chain D and (resid 9 through 11 or resid 13...D8 - 368
511(chain E and (resid 9 through 11 or (resid 13...E9 - 11
521(chain E and (resid 9 through 11 or (resid 13...E13
531(chain E and (resid 9 through 11 or (resid 13...E8 - 368
541(chain E and (resid 9 through 11 or (resid 13...E8 - 368
551(chain E and (resid 9 through 11 or (resid 13...E8 - 368
561(chain E and (resid 9 through 11 or (resid 13...E8 - 368

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Components

#1: Protein
Encapsidation protein


Mass: 45069.855 Da / Num. of mol.: 5
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Lactococcus phage asccphi28 (virus) / Plasmid: pjExpress401 / Production host: Escherichia coli (E. coli) / References: UniProt: B1ABI1
#2: Chemical
ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: SO4
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 6 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestN

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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: 2.43 Å3/Da / Density % sol: 49.28 %
Crystal growTemperature: 277 K / Method: vapor diffusion, sitting drop / pH: 8.3
Details: 1.0 M trisodium citrate; 0.1 M tris(hydroxymethyl)aminomethane (Tris), pH 8.3

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 21-ID-F / Wavelength: 0.97872 Å
DetectorType: RAYONIX MX-300 / Detector: CCD / Date: Jun 7, 2017
RadiationMonochromator: Diamond [111] / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97872 Å / Relative weight: 1
ReflectionResolution: 2.89→70 Å / Num. obs: 72712 / % possible obs: 98.9 % / Redundancy: 10.9 % / CC1/2: 0.982 / CC star: 0.995 / Rmerge(I) obs: 0.185 / Rpim(I) all: 0.057 / Rrim(I) all: 0.194 / Χ2: 0.991 / Net I/av σ(I): 11 / Net I/σ(I): 5.8
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsMean I/σ(I) obsNum. unique obsCC1/2CC starRpim(I) allRrim(I) allΧ2% possible allR split
2.89-2.954.82.1110.622200.3020.6811.0272.3620.77989.8
2.95-35.21.8720.6823580.3070.6850.8752.0780.79595.1
3-3.065.81.374124050.5470.8410.6061.5080.82898.4
3.06-3.126.41.2671.224610.6160.8730.5331.3790.82399.9
3.12-3.197.41.0021.725060.7630.930.391.0770.827100
3.19-3.278.50.8552.324560.8570.9610.3060.9090.828100
3.27-3.3510.20.6553.424750.9160.9780.2130.690.883100
3.35-3.4412.10.5524.724720.9660.9910.1650.5760.88699.9
3.44-3.5413.50.4945.324660.9640.9910.140.5140.888100
3.54-3.6513.50.3985.925120.9750.9940.1130.4140.893100
3.65-3.7813.40.3057.124920.9850.9960.0860.3170.96199.89.28
3.78-3.9413.50.2717.525030.9870.9970.0770.2820.99799.9
3.94-4.1113.40.238.725020.9890.9970.0650.2391.04999.9
4.11-4.3313.30.2039.824950.9880.9970.0580.2111.11699.8
4.33-4.613.10.17810.725080.990.9970.0520.1861.19399.2
4.6-4.9612.90.17111.525320.9860.9960.050.1781.24299.5
4.96-5.46130.1551225360.9910.9980.0450.1621.15999.6
5.46-6.2512.90.14412.325740.9910.9980.0420.151.10899.7
6.25-7.8712.80.12612.826230.990.9970.0370.1311.03799.6
7.87-7010.90.10612.127510.9890.9970.0330.1110.85797.8

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Phasing

PhasingMethod: molecular replacement
Phasing MR
Highest resolutionLowest resolution
Rotation8.05 Å49.59 Å
Translation8.05 Å49.59 Å

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Processing

Software
NameVersionClassification
HKL-2000data scaling
PHASER2.7.18phasing
PHENIX1.18.2_3874refinement
PDB_EXTRACT3.25data extraction
HKL-2000data reduction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 7JQ6

7jq6


Resolution: 2.89→50.13 Å / SU ML: 0.34 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 29.74 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.2755 3671 5.07 %Random
Rwork0.2257 68727 --
obs0.2282 72398 77.39 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 196.67 Å2 / Biso mean: 60.5388 Å2 / Biso min: 16.27 Å2
Refinement stepCycle: final / Resolution: 2.89→50.13 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms15065 0 25 6 15096
Biso mean--94.26 47.15 -
Num. residues----1808
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11A7477X-RAY DIFFRACTION7.986TORSIONAL
12B7477X-RAY DIFFRACTION7.986TORSIONAL
13C7477X-RAY DIFFRACTION7.986TORSIONAL
14D7477X-RAY DIFFRACTION7.986TORSIONAL
15E7477X-RAY DIFFRACTION7.986TORSIONAL
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 26

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.89-2.930.356160.390832734310
2.93-2.970.4963220.372640142312
2.97-3.010.3114250.388751554015
3.01-3.060.381410.380169073121
3.06-3.110.3691530.3594972102529
3.11-3.160.3812700.35561269133937
3.16-3.210.3431880.31781749183751
3.21-3.270.39931250.32962272239766
3.27-3.330.39771620.29962938310087
3.33-3.40.33981790.29133322350198
3.4-3.480.34121820.280334493631100
3.48-3.560.29121770.276233933570100
3.56-3.640.30631860.250734113597100
3.64-3.740.32761840.229333763560100
3.74-3.850.26181820.222733993581100
3.85-3.980.27741750.218334123587100
3.98-4.120.24171840.20933409359399
4.12-4.280.29161770.19843385356299
4.28-4.480.22121880.18133371355999
4.48-4.720.19681780.17643351352999
4.72-5.010.24111770.18863409358699
5.01-5.40.24881740.19493393356799
5.4-5.940.24661760.206633913567100
5.94-6.80.28671790.2234083587100
6.8-8.560.25241840.22163421360599
8.56-50.130.24291870.19663294348197
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)
10.07810.01520.02630.02210.0310.0412-0.0159-0.1097-0.0230.0404-0.05260.1027-0.0183-0.0752-0.21340.0097-0.0695-0.02090.6731-0.17440.333322.14151.33650.983
20.00510.01110.01960.0669-0.00970.1459-0.1178-0.0363-0.00030.00280.00280.1136-0.01830.00440.0040.26330.0391-0.03140.8792-0.07670.62636.00961.70751.476
30.02570.0084-0.02280.0184-0.00490.0249-0.0132-0.0928-0.0253-0.00250.05980.0972-0.0199-0.0627-0.02190.02880.03170.03870.6236-0.08630.444814.265.78750.248
40.1416-0.03560.06590.0205-0.04570.1184-0.0627-0.12970.07560.0163-0.02820.0048-0.0327-0.1379-0.05680.14740.0132-0.01730.3014-0.19520.418630.28663.00943.291
50.2338-0.07650.24210.1603-0.17830.32560.0874-0.21240.0295-0.00930.04810.08040.0656-0.08770.29730.10030.0015-0.04330.513-0.23470.277130.90352.40142.012
60.2415-0.11140.14120.0536-0.01570.21660.1316-0.3212-0.18590.00360.15410.02890.02460.04660.7766-0.06850.00030.00340.5617-0.19510.435736.62244.74447.22
70.0029-0.00170.00270.00120.00070.00330.0886-0.0702-0.0760.06480.0121-0.0080.1881-0.063800.4167-0.1486-0.02350.72690.03320.35798.72629.8138.04
80.04270.00790.00050.1107-0.07190.04840.07910.05560.1197-0.2417-0.02710.1626-0.07640.0331-00.32050.0442-0.02180.4289-0.10210.333253.96933.0435.406
90.02840.03080.02270.03510.02370.01770.0265-0.0311-0.015-0.02140.0293-0.0719-0.0088-0.01060.02070.56340.11560.34180.6544-0.09670.871165.66949.82835.299
100.00190.00170.00090.00810.00150.0002-0.02630.0033-0.00050.0014-0.00350.0141-0.00850.0152-0.00021.1015-0.00740.12081.0080.09860.938256.53548.65225.611
110.00350.00970.00540.04450.02810.01720.0968-0.05450.0741-0.0968-0.08060.0439-0.0774-0.00590.00090.19650.0522-0.03550.5792-0.03180.349348.69438.34633.73
120.0039-0.00130.00870.0004-0.00330.02130.0007-0.0035-0.018-0.02940.01340.03010.0194-0.00570.00010.57120.09770.11240.7906-0.29270.9044-13.72342.35924.25
130.0463-0.01120.00310.02380.01630.03050.095-0.1253-0.05630.0446-0.12980.0756-0.0003-0.0288-0.0740.0872-0.15450.03510.5252-0.21260.3023-8.53944.1731.02
140.0297-0.06570.05010.1917-0.13210.1097-0.0373-0.02670.23750.103-0.18680.1091-0.12190.0252-0.25340.1688-0.0770.03690.5816-0.22160.4-4.22758.48432.576
150.0372-0.02880.03120.09640.00760.0679-0.0218-0.06870.05790.0762-0.0517-0.0005-0.0447-0.0464-0.04540.2302-0.1496-0.12670.5149-0.12440.14413.57346.01328.81
160.0141-0.031-0.00640.09060.00490.03290.0129-0.1016-0.040.02280.15540.0827-0.0480.0130.06970.1688-0.10030.08440.4585-0.05620.220611.02341.61429.212
170.0748-0.09670.02840.1796-0.06960.04530.11520.0922-0.1931-0.04070.0024-0.00170.10070.03950.04060.1817-0.2965-0.06450.4389-0.30320.2291-1.61333.73322.916
180.00590.02420.00790.08870.02910.0105-0.0051-0.0465-0.04380.0234-0.0520.07540.0331-0.0314-0.2040.3414-0.2383-0.06860.6341-0.26630.5424-8.32550.2823.143
190.047-0.0130.02770.0730.00710.022-0.2114-0.0336-0.090.00440.18170.13480.089-0.1219-0.00280.3137-0.09880.11330.4617-0.0790.278118.55618.34914.905
200.01020.00970.0080.01810.00560.0044-0.0743-0.14260.01370.00960.0075-0.0709-0.003-0.0076-0.00080.4505-0.0379-0.08580.5619-0.12530.410829.04517.93728.924
210.0025-0.02030.00190.1616-0.02240.0054-0.0105-0.00680.12580.1943-0.0979-0.0055-0.03790.0353-0.0420.2668-0.1510.06930.38130.01620.383919.91926.71816.713
220.02140.0106-0.00850.0054-0.00410.0033-0.0060.0082-0.01790.0055-0.0115-0.0126-0.00090.0099-0.01090.2056-0.13680.03270.47480.01950.435119.93132.59422.124
230.0367-0.01680.00510.15490.1120.08770.075-0.09040.0837-0.19450.0044-0.0964-0.1849-0.00980.14460.192-0.0260.03520.347-0.36140.2257-1.18975.5727.525
240.0224-0.0463-0.0280.07610.04570.03570.0383-0.1490.13350.0560.0539-0.0737-0.06650.08040.0780.18790.03170.05160.4525-0.36180.304-1.51180.52620.419
250.01950.03240.00050.06350.00030.0635-0.0144-0.0412-0.00630.0076-0.03270.0046-0.0095-0.0658-0.25110.0924-0.05950.01340.3761-0.28650.1667-2.80765.32413.127
260.16910.0819-0.09180.1225-0.13680.1551-0.0580.0478-0.1140.0646-0.07320.06620.04790.0094-0.2920.0569-0.07930.06980.2794-0.17590.30337.361.3363.988
270.12460.03620.11010.21910.04140.0972-0.0494-0.10130.0619-0.1742-0.11850.20070.0441-0.2263-0.42430.2536-0.0366-0.04840.347-0.27040.1341-1.56967.026-5.219
280.0036-0.0031-0.00230.013-0.00570.0047-0.09480.05130.0167-0.13-0.02840.13980.0057-0.0422-0.00130.55570.0737-0.05320.4242-0.10580.449416.10291.506-6.166
290.05250.01130.01340.0154-0.00760.0150.015-0.0057-0.00730.0080.01270.0196-0.00280.00290.00690.4236-0.191-0.03580.4559-0.13370.569516.93180.942-7.005
300.0405-0.05120.02830.0692-0.03890.02190.02390.0889-0.0414-0.2053-0.12740.0275-0.0347-0.0726-0.03970.436-0.06520.07430.4334-0.10820.19968.75349.918-16.676
310.0221-0.02470.01550.0294-0.00940.02720.17720.1112-0.0439-0.28050.01270.11630.00230.0375-0.00020.4655-0.0094-0.00360.3108-0.06680.39649.96843.445-20.486
320.0197-0.0105-0.01610.00690.0160.0685-0.0396-0.07790.00230.0253-0.01580.00780.058-0.0178-0.05490.5332-0.16130.190.3479-0.19420.29245.9334.849-4.713
330.01110.0041-0.00420.0350.02030.01260.081-0.06640.0643-0.26850.0358-0.20140.00080.0033-00.3541-0.00450.05590.4-0.04010.269611.9850.366-9.59
340.0056-0.00150.00170.00360.00040.0028-0.0367-0.00980.0248-0.0129-0.0221-0.0531-0.02730.032801.0146-0.29280.08750.7061-0.33610.707631.335102.80614.393
350.20380.14530.17040.2330.17820.5657-0.0178-0.19830.1210.0197-0.1650.1665-0.0248-0.059-0.61950.3177-0.21290.14290.502-0.34480.335126.29891.91616.38
360.03190.0050.017-00.00240.00850.0522-0.08950.05050.02610.0217-0.0106-0.01450.00950.1490.5595-0.45570.15681.1342-0.3480.50226.04195.77729.641
370.00260.00240.00450.00470.00430.0055-0.012-0.0366-0.04680.0091-0.02960.0132-0.03110.0826-0.02240.6773-0.24420.33011.2136-0.4170.772918.92393.83437.06
380.1732-0.0059-0.0510.10690.18620.3237-0.0196-0.1692-0.0220.0531-0.24760.18120.0921-0.2973-1.1380.2345-0.18230.19490.5158-0.33860.131421.26684.34413.393
390.11320.08610.01610.0777-0.02160.165-0.0035-0.05670.0097-0.0279-0.0580.0131-0.02960.0458-0.13750.255-0.20940.14410.3569-0.11220.319335.54593.1582.788
400.0065-0.0039-0.01320.00160.00730.0268-0.03670.0398-0.0196-0.0625-0.0223-0.0247-0.0035-0.0149-0.00151.1357-0.10770.01871.2347-0.03081.160750.49598.1920.615
410.0618-0.08250.05980.1284-0.04530.0715-0.0138-0.24630.0957-0.01730.024-0.2601-0.02270.0894-0.03840.3704-0.13120.01850.5497-0.17770.464552.5187.5616.926
420.20660.0091-0.05730.0215-0.02060.0445-0.15960.01780.0236-0.2389-0.09010.077-0.1295-0.0579-0.47770.5791-0.02150.1650.1828-0.19720.417938.7277.568-21.126
430.04940.03010.02920.02710.01620.0183-0.00650.026-0.0039-0.0757-0.02070.0169-0.0408-0.0448-0.00790.6293-0.0560.12310.6314-0.35220.557321.21472.863-20.433
440.0283-0.02790.05420.0292-0.05620.11390.0326-0.11720.0747-0.09390.11060.13570.1216-0.03480.0060.5523-0.17180.10560.2764-0.07060.364736.31974.899-9.347
450.001-0.00260.00550.0122-0.00820.0237-0.0181-0.01650.00630.0338-0.0044-0.00130.00810.0016-0.05730.39730.0238-0.10540.5298-0.32320.425154.09381.2950.617
460.2067-0.0550.20940.0179-0.05420.214-0.12410.01210.14140.0208-0.09490.0255-0.06910.02-0.45670.0795-0.0112-0.19370.5349-0.410.501141.77278.34344.552
470.11510.01180.0155-0.00380.00640.00160.0049-0.04850.21250.0215-0.05130.096-0.0428-0.08010.08050.08930.1254-0.0910.6018-0.39960.616630.90382.4547.207
480.0073-0.0008-0.00690.02190.01950.04180.00310.0705-0.0276-0.1021-0.00820.0408-0.07870.03230.06960.2948-0.048-0.10560.351-0.33110.381545.45177.59530.921
490.04470.02070.03650.00720.01630.02430.02540.08770.0046-0.05990.06420.0454-0.03850.04350.29360.08080.0112-0.1370.3733-0.26160.322856.39477.27635.391
500.01710.01690.00250.03220.00160.0001-0.0271-0.00030.0548-0.00390.0166-0.003-0.03380.04310.0220.1354-0.0904-0.0040.4545-0.21180.377562.49679.94840.015
51-0.00050.00050.00010.019-0.00460.0005-0.0118-0.01880.00050.0163-0.0268-0.01690.0124-0.01080.00020.9112-0.03250.00641.15770.13971.118555.72463.01353.752
520.0188-0.0045-0.01660.02150.00370.02450.07-0.18110.0040.0242-0.0053-0.01230.0153-0.0878-0.01050.2177-0.0111-0.16260.7736-0.19790.61852.14955.37946.799
530.04550.0615-0.05430.2148-0.14890.1068-0.1923-0.0180.03910.0235-0.069-0.1487-0.03120.0185-0.02470.4272-0.06370.02440.5244-0.19340.34771.39570.33713.038
540.010.0078-0.01160.0138-0.01550.02070.0558-0.02160.06970.02180.0065-0.0059-0.0472-0.02160.02120.54970.12810.19120.7804-0.16450.426762.26281.3453.427
550.11470.1842-0.08480.591-0.35230.2260.00630.03110.0326-0.09390.13030.06370.08560.06120.23460.3202-0.05180.0390.5385-0.31070.432460.05769.13916.147
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 5:81 )A5 - 81
2X-RAY DIFFRACTION2( CHAIN A AND RESID 82:91 )A82 - 91
3X-RAY DIFFRACTION3( CHAIN A AND RESID 92:116 )A92 - 116
4X-RAY DIFFRACTION4( CHAIN A AND RESID 117:133 )A117 - 133
5X-RAY DIFFRACTION5( CHAIN A AND RESID 134:157 )A134 - 157
6X-RAY DIFFRACTION6( CHAIN A AND RESID 158:229 )A158 - 229
7X-RAY DIFFRACTION7( CHAIN A AND RESID 230:250 )A230 - 250
8X-RAY DIFFRACTION8( CHAIN A AND RESID 251:309 )A251 - 309
9X-RAY DIFFRACTION9( CHAIN A AND RESID 310:325 )A310 - 325
10X-RAY DIFFRACTION10( CHAIN A AND RESID 326:335 )A326 - 335
11X-RAY DIFFRACTION11( CHAIN A AND RESID 336:368 )A336 - 368
12X-RAY DIFFRACTION12( CHAIN B AND RESID 8:12 )B8 - 12
13X-RAY DIFFRACTION13( CHAIN B AND RESID 13:50 )B13 - 50
14X-RAY DIFFRACTION14( CHAIN B AND RESID 51:133 )B51 - 133
15X-RAY DIFFRACTION15( CHAIN B AND RESID 134:154 )B134 - 154
16X-RAY DIFFRACTION16( CHAIN B AND RESID 155:178 )B155 - 178
17X-RAY DIFFRACTION17( CHAIN B AND RESID 179:228 )B179 - 228
18X-RAY DIFFRACTION18( CHAIN B AND RESID 229:257 )B229 - 257
19X-RAY DIFFRACTION19( CHAIN B AND RESID 258:303 )B258 - 303
20X-RAY DIFFRACTION20( CHAIN B AND RESID 304:325 )B304 - 325
21X-RAY DIFFRACTION21( CHAIN B AND RESID 326:360 )B326 - 360
22X-RAY DIFFRACTION22( CHAIN B AND RESID 361:367 )B361 - 367
23X-RAY DIFFRACTION23( CHAIN C AND RESID 7:70 )C7 - 70
24X-RAY DIFFRACTION24( CHAIN C AND RESID 71:131 )C71 - 131
25X-RAY DIFFRACTION25( CHAIN C AND RESID 132:147 )C132 - 147
26X-RAY DIFFRACTION26( CHAIN C AND RESID 148:176 )C148 - 176
27X-RAY DIFFRACTION27( CHAIN C AND RESID 177:225 )C177 - 225
28X-RAY DIFFRACTION28( CHAIN C AND RESID 226:246 )C226 - 246
29X-RAY DIFFRACTION29( CHAIN C AND RESID 247:254 )C247 - 254
30X-RAY DIFFRACTION30( CHAIN C AND RESID 255:288 )C255 - 288
31X-RAY DIFFRACTION31( CHAIN C AND RESID 289:307 )C289 - 307
32X-RAY DIFFRACTION32( CHAIN C AND RESID 308:329 )C308 - 329
33X-RAY DIFFRACTION33( CHAIN C AND RESID 330:368 )C330 - 368
34X-RAY DIFFRACTION34( CHAIN D AND RESID 8:16 )D8 - 16
35X-RAY DIFFRACTION35( CHAIN D AND RESID 17:64 )D17 - 64
36X-RAY DIFFRACTION36( CHAIN D AND RESID 65:83 )D65 - 83
37X-RAY DIFFRACTION37( CHAIN D AND RESID 84:103 )D84 - 103
38X-RAY DIFFRACTION38( CHAIN D AND RESID 104:181 )D104 - 181
39X-RAY DIFFRACTION39( CHAIN D AND RESID 182:225 )D182 - 225
40X-RAY DIFFRACTION40( CHAIN D AND RESID 226:233 )D226 - 233
41X-RAY DIFFRACTION41( CHAIN D AND RESID 234:263 )D234 - 263
42X-RAY DIFFRACTION42( CHAIN D AND RESID 264:312 )D264 - 312
43X-RAY DIFFRACTION43( CHAIN D AND RESID 313:325 )D313 - 325
44X-RAY DIFFRACTION44( CHAIN D AND RESID 326:368 )D326 - 368
45X-RAY DIFFRACTION45( CHAIN E AND RESID 8:17 )E8 - 17
46X-RAY DIFFRACTION46( CHAIN E AND RESID 18:76 )E18 - 76
47X-RAY DIFFRACTION47( CHAIN E AND RESID 77:132 )E77 - 132
48X-RAY DIFFRACTION48( CHAIN E AND RESID 133:176 )E133 - 176
49X-RAY DIFFRACTION49( CHAIN E AND RESID 177:211 )E177 - 211
50X-RAY DIFFRACTION50( CHAIN E AND RESID 212:224 )E212 - 224
51X-RAY DIFFRACTION51( CHAIN E AND RESID 225:232 )E225 - 232
52X-RAY DIFFRACTION52( CHAIN E AND RESID 233:261 )E233 - 261
53X-RAY DIFFRACTION53( CHAIN E AND RESID 262:306 )E262 - 306
54X-RAY DIFFRACTION54( CHAIN E AND RESID 307:325 )E307 - 325
55X-RAY DIFFRACTION55( CHAIN E AND RESID 326:368 )E326 - 368

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