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- PDB-7jq6: The Phi-28 gp11 DNA packaging Motor -

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Open data


ID or keywords:

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Basic information

Entry
Database: PDB / ID: 7jq6
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 / SAD / Resolution: 2.9 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 10, 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

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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)226,40616
Polymers225,3495
Non-polymers1,05711
Water00
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 area19500 Å2
ΔGint-181 kcal/mol
Surface area85880 Å2
MethodPISA
Unit cell
Length a, b, c (Å)135.000, 135.000, 276.700
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number154
Space group name H-MP3221
Components on special symmetry positions
IDModelComponents
11D-308-

ASN

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 - 27
131(chain A and (resid 9 through 11 or resid 13...A29 - 65
141(chain A and (resid 9 through 11 or resid 13...A66
151(chain A and (resid 9 through 11 or resid 13...A5 - 371
161(chain A and (resid 9 through 11 or resid 13...A5 - 371
171(chain A and (resid 9 through 11 or resid 13...A5 - 371
181(chain A and (resid 9 through 11 or resid 13...A5 - 371
191(chain A and (resid 9 through 11 or resid 13...A5 - 371
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 - 27
231(chain B and (resid 9 through 11 or resid 13...B29 - 65
241(chain B and (resid 9 through 11 or resid 13...B66
251(chain B and (resid 9 through 11 or resid 13...B5 - 370
261(chain B and (resid 9 through 11 or resid 13...B5 - 370
271(chain B and (resid 9 through 11 or resid 13...B5 - 370
281(chain B and (resid 9 through 11 or resid 13...B5 - 370
291(chain B and (resid 9 through 11 or resid 13...B5 - 370
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 - 27
331(chain C and (resid 9 through 11 or resid 13...C29 - 66
341(chain C and (resid 9 through 11 or resid 13...C68 - 106
351(chain C and (resid 9 through 11 or resid 13...C108 - 130
361(chain C and (resid 9 through 11 or resid 13...C137 - 161
371(chain C and (resid 9 through 11 or resid 13...C0
381(chain C and (resid 9 through 11 or resid 13...C179 - 215
391(chain C and (resid 9 through 11 or resid 13...C280300
3101(chain C and (resid 9 through 11 or resid 13...C300 - 320
3111(chain C and (resid 9 through 11 or resid 13...C322 - 326
3121(chain C and (resid 9 through 11 or resid 13...C322 - 326
3131(chain C and (resid 9 through 11 or resid 13...C328 - 329
3141(chain C and (resid 9 through 11 or resid 13...C331
3151(chain C and (resid 9 through 11 or resid 13...C333 - 344
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 - 27
431(chain D and (resid 9 through 11 or resid 13...D29 - 65
441(chain D and (resid 9 through 11 or resid 13...D66
451(chain D and (resid 9 through 11 or resid 13...D5 - 372
461(chain D and (resid 9 through 11 or resid 13...D5 - 372
471(chain D and (resid 9 through 11 or resid 13...D5 - 372
481(chain D and (resid 9 through 11 or resid 13...D5 - 372
491(chain D and (resid 9 through 11 or resid 13...D5 - 372
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 - 27
531(chain E and (resid 9 through 11 or resid 13...E29 - 65
541(chain E and (resid 9 through 11 or resid 13...E66
551(chain E and (resid 9 through 11 or resid 13...E5 - 368
561(chain E and (resid 9 through 11 or resid 13...E5 - 368
571(chain E and (resid 9 through 11 or resid 13...E5 - 368
581(chain E and (resid 9 through 11 or resid 13...E5 - 368
591(chain E and (resid 9 through 11 or resid 13...E5 - 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.: 11 / Source method: obtained synthetically / Formula: SO4
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: 3.26 Å3/Da / Density % sol: 62.35 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / pH: 5.7
Details: 1.6 M ammonium sulfate, 0.1 M trisodium citrate, pH 5.7

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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: Oct 15, 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: 2.8→50 Å / Num. obs: 82234 / % possible obs: 85.2 % / Redundancy: 42.7 % / Biso Wilson estimate: 62.47 Å2 / Rmerge(I) obs: 0.183 / Rpim(I) all: 0.028 / Χ2: 0.994 / Net I/σ(I): 16.9
Reflection shellResolution: 2.8→2.85 Å / Redundancy: 12.3 % / Mean I/σ(I) obs: 0.495 / Num. unique obs: 1138 / CC1/2: 0.518 / CC star: 0.826 / Rpim(I) all: 1.45 / Χ2: 0.904 / % possible all: 31.8

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Phasing

PhasingMethod: SAD

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Processing

Software
NameVersionClassification
HKL-2000data scaling
SHELXphasing
PHENIX1.13rc2_2986refinement
PDB_EXTRACT3.25data extraction
HKL-2000data reduction
RefinementMethod to determine structure: SAD / Resolution: 2.9→49.3823 Å / SU ML: 0.35 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 28.72 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.2741 3667 4.58 %Random
Rwork0.2412 76360 --
obs0.2427 80027 64.02 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 262.87 Å2 / Biso mean: 101.5328 Å2 / Biso min: 16.01 Å2
Refinement stepCycle: final / Resolution: 2.9→49.3823 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms15397 0 55 0 15452
Biso mean--101.54 --
Num. residues----1829
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11A7722X-RAY DIFFRACTION7.96TORSIONAL
12B7722X-RAY DIFFRACTION7.96TORSIONAL
13C7722X-RAY DIFFRACTION7.96TORSIONAL
14D7722X-RAY DIFFRACTION7.96TORSIONAL
15E7722X-RAY DIFFRACTION7.96TORSIONAL
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork% reflection obs (%)
2.9-2.93810.249830.4194351
2.9381-2.97830.337950.34541223
2.9783-3.02080.4963130.36682215
3.0208-3.06590.5804120.41683237
3.0659-3.11380.4998160.396145210
3.1138-3.16490.368290.37754712
3.1649-3.21940.3418340.360972516
3.2194-3.2780.4492520.364197522
3.278-3.3410.3706630.3444127328
3.341-3.40920.3681900.3511179539
3.4092-3.48330.32841150.34249854
3.4833-3.56430.3631680.3332364080
3.5643-3.65340.36962130.3165442695
3.6534-3.75210.28972220.3011451699
3.7521-3.86250.29612280.283453999
3.8625-3.98710.30552120.2683450899
3.9871-4.12960.27492230.2513454599
4.1296-4.29480.31192160.2305456599
4.2948-4.49020.26232200.2132458899
4.4902-4.72670.22062220.18894512100
4.7267-5.02260.22222200.19974627100
5.0226-5.410.2252180.21284608100
5.41-5.95360.29732110.22964566100
5.9536-6.81310.29932200.23884579100
6.8131-8.57650.23432170.22224600100
8.5765-49.38230.21992250.18314575100
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)
10.09930.05390.05950.1520.0940.1821-0.00340.16670.0186-0.06910.2012-0.024-0.14670.16460.47170.4074-0.10570.06120.2753-0.10110.273673.962723.617161.1533
20.0572-0.0037-0.04890.0106-0.0150.07460.00470.0313-0.0192-0.00920.00980.00450.0390.00770.02260.409-0.01250.00860.2957-0.15330.196774.882628.595956.2706
30.0476-0.0041-0.03290.00060.00280.02310.0212-0.0097-0.06660.01580.06130.04580.02860.00930.18320.82260.5324-0.16650.76150.18031.121522.474350.333747.8503
40.2814-0.0479-0.05270.00820.00860.01140.0280.0478-0.12330.0133-0.01710.015-0.1016-0.0953-0.09031.31760.8905-0.03941.010.05550.513132.293450.912935.7765
50.01790.01360.01790.01060.01180.01920.00340.00570.02060.08150.0430.06-0.03330.01870.11861.36530.7386-0.0681.01310.17920.865533.472861.691324.418
60.0636-0.03780.01490.0912-0.05740.11570.038-0.0136-0.0658-0.03060.00290.0382-0.1219-0.02530.04271.22410.6348-0.09780.97070.21820.715443.949752.272336.5997
70.136-0.19920.01180.3092-0.04240.03940.04150.015-0.0735-0.0941-0.01950.1943-0.1592-0.1070.03380.8410.5464-0.01460.8260.02210.390439.625947.881545.4918
8-000.00010.0003-00.00080.00570.0359-0.0120.0085-0.0327-0.00110.0235-0.0064-01.5785-0.3304-0.32471.54340.10881.643833.816327.658939.6492
90.0108-0.00650.02790.004-0.01570.0720.01870.0092-0.02580.0521-0.0181-0.1214-0.0939-0.0326-0.00740.76880.4824-0.13660.59880.08370.706342.038241.301452.1742
100.3420.03420.00810.09240.03310.01220.0972-0.0166-0.3505-0.0494-0.03410.0932-0.0759-0.0699-0.08560.91360.6312-0.01460.96340.150.726626.558942.655353.4075
110.0058-0.00240.00370.00260.00380.01640.0077-0.0136-0.0322-0.0095-0.03670.0035-0.0041-0.0091-0.00021.37820.3871-0.16311.6551-0.20441.581911.412738.019436.5275
120.0675-0.00570.00980.0222-0.02110.15810.00090.05710.0961-0.0147-0.0670.0434-0.0042-0.0233-0.02640.68480.41160.31031.63340.42651.230115.760529.26427.0708
130.0694-0.0055-0.04760.02660.01220.03790.01630.1629-0.0083-0.0136-0.11850.1342-0.0865-0.0995-0.22860.75620.48380.04210.9240.17250.965429.693126.723863.7354
140.0143-0.0079-0.00410.02340.00580.0366-0.1476-0.02080.00770.0812-0.0491-0.0492-0.0909-0.0682-0.01850.79790.36910.16040.81840.17950.911632.700819.031172.5062
150.03140.04130.02920.05940.06260.20220.0697-0.0668-0.0294-0.01160.2047-0.0291-0.0885-0.02570.02790.95280.26640.05690.61330.2220.718549.166329.320773.3497
160.02750.04020.00250.0602-0.00450.08850.0320.03770.01740.03460.0328-0.0783-0.0138-0.01310.08370.57390.384-0.14010.7790.15780.956836.4724.408761.8107
170.00860.00270.01120.00960.01630.0371-0.01620.02460.00150.0079-0.0006-0.00530.0015-0.00630.00011.18250.2333-0.29971.05890.02051.17943.774226.736654.3224
180.0887-0.0058-0.00380.0876-0.00580.0005-0.04790.0113-0.00830.02640.1190.1024-0.0458-0.01360.05341.21390.3246-0.44211.51510.23280.907421.55229.97465.1395
190.0992-0.0651-0.08960.1376-0.01530.13040.10870.114-0.11040.12290.169-0.0448-0.0671-0.15120.64240.79310.7796-0.0221.26710.24140.63435.553434.157111.3613
200.0766-0.0831-0.08230.11550.09920.09280.07420.0825-0.068-0.03830.12090.1075-0.005-0.09690.21740.72530.4865-0.12251.29950.02530.663941.676644.11610.204
210.02550.0467-0.01290.086-0.02320.0068-0.01780.09310.0530.03510.10830.0284-0.009-0.01590.03710.80470.5413-0.07371.31850.01750.431541.178650.31244.4271
220.0326-0.0233-0.00950.0315-0.03060.06660.02030.05330.018-0.0071-0.0623-0.06420.01640.0183-0.09060.73110.5190.02290.78520.11550.362637.260541.22821.8448
230.3619-0.05210.02440.1305-0.0010.01350.05370.0253-0.14980.0118-0.0161-0.0654-0.0249-0.0302-0.05420.75360.6190.06581.01520.19360.54133.399228.0816.9445
240.0018-0.0007-0.0035-0.0011-0.00030.00390.0733-0.0020.00980.21640.17680.0672-0.0186-0.11550.11490.80530.5040.14821.02950.32050.642229.020129.505825.7321
250.00280.0058-0.01130.0227-0.03910.06530.0958-0.0197-0.20230.04490.12510.1547-0.0085-0.15640.18930.71670.4713-0.10321.34820.13730.713923.235119.515513.5364
260.00840.00890.00750.02380.010.00710.0005-0.00890.0253-0.0144-0.0612-0.0277-0.01030.0218-0.08580.5988-0.0968-0.35940.71380.25040.672736.326815.6006-6.7113
270.05490.0371-0.01390.05430.0090.01530.0078-0.0484-0.0210.0061-0.01590.0350.0237-0.0507-0.04880.3921-0.278-0.13630.45940.0520.429547.78811.2129-4.5714
280.00370.02190.00940.10720.05020.0223-0.0474-0.12420.0063-0.25590.10820.1565-0.1018-0.190.00580.57560.1128-0.00031.40830.14131.085120.78867.116126.1989
290.02820.02290.04850.03310.04490.08830.1017-0.16450.06080.0024-0.02210.04380.0085-0.12910.02540.40080.1942-0.02431.33880.12820.929616.74233.573737.4617
300.002-0.00040.00140.0052-0.00620.0072-0.0039-0.00570.0023-0.01330.01550.0182-0.03890.002301.05520.3066-0.12791.42030.41341.414919.624415.075646.7256
310.0058-0.013-0.01770.02580.03510.0493-0.02150.07860.0995-0.01660.1189-0.0041-0.1078-0.16680.09410.81290.3373-0.21641.26850.29111.14724.69057.986230.4867
320.0459-0.00640.00460.0124-0.0010.00040.0010.0053-0.0082-0.0075-0.0276-0.0084-0.0086-0.0150.00011.48280.026-0.2521.44090.01411.440333.627915.540635.1563
330.4103-0.23460.03850.1906-0.08490.0873-0.1129-0.09420.16550.09690.0509-0.1662-0.12440.0303-0.13730.2038-0.0341-0.05580.18360.11810.225965.572625.5575-3.7751
340.07790.00990.01710.0042-0.0050.0132-0.06390.02190.05030.04390.012-0.0404-0.06790.0301-0.2320.1867-0.0045-0.10710.2454-0.04710.224471.386641.3513-2.8832
350.0475-0.0513-0.00330.08690.04080.0422-0.1557-0.04540.16670.00530.06960.0931-0.1005-0.0217-0.12040.27720.03180.06070.32390.08150.345164.14744.3609-2.3521
360.21580.00530.05020.10460.10610.2007-0.12220.00010.09470.01070.00280.0286-0.02950.0484-0.56250.05570.0023-0.00610.23370.07290.1856.548729.49952.2352
370.12050.05940.02530.04490.00620.01020.0496-0.03690.05010.13930.05410.23450.014-0.14950.21610.3075-0.04210.07050.36350.16610.358157.403216.13698.8519
380.1188-0.0084-0.05340.0884-0.02470.0692-0.08050.0902-0.02580.03370.0980.06710.0563-0.02630.21460.12360.06170.04850.2060.09380.323662.518912.5422-2.7064
390.0236-0.00720.01440.0184-0.03090.05460.04850.0487-0.0447-0.05740.0103-0.0260.03540.01970.05410.28330.09150.13240.21590.03250.422964.639210.0691-9.4623
400.00450.0013-0.00320.0014-0.00090.00210.0477-0.0699-0.031-0.04210.08360.11280.05240.07990.00010.6471-0.09260.05770.6788-0.11920.77385.709416.6867-1.1797
410.0187-0.01720.02430.0447-0.02380.03060.0060.10270.0201-0.0352-0.0238-0.04770.01050.07020.02820.4365-0.04740.17630.40230.00540.458389.800919.756611.1137
420.0820.0107-0.01970.0649-0.00330.0019-0.00830.1143-0.07-0.09960.22430.07690.1396-0.16520.25440.443-0.016-0.10610.67340.07180.398658.4143-5.2695.7401
430.07990.0493-0.04020.0286-0.02340.0228-0.15590.11010.0032-0.09280.0705-0.10050.1235-0.048-0.02650.538-0.0839-0.08920.39940.11910.424455.1639-13.63849.4964
440.0267-0.0025-0.00340.0352-0.00830.0921-0.05170.07930.0414-0.0055-0.0402-0.0026-0.0168-0.0072-0.04310.3241-0.0106-0.02170.56120.26741.029238.0247-5.60398.9657
450.017-0.00680.01340.0124-0.00240.0108-0.0114-0.0226-0.0165-0.0056-0.05530.0230.012-0.0122-0.00130.72320.20530.15870.8835-0.03861.02444.70490.497419.6154
460.024-0.0236-0.00780.04680.01180.1006-0.0323-0.00290.14580.035-0.0370.0641-0.0111-0.0868-0.08720.42990.04170.03320.27510.02810.403558.1595-2.71079.69
470.00660.00170.00910.00290.00370.01490.0239-0.00690.00750.0022-0.0584-0.0015-0.01410.00350.00010.8151-0.05070.0030.57390.22130.733954.05377.131216.3732
480.00030.0050.00490.03570.0220.0355-0.035-0.0128-0.01570.0196-0.0453-0.1489-0.01760.0595-0.05580.7546-0.3203-0.15090.59360.25440.783896.579841.431325.3635
490.13220.0914-00.07150.0013-0.0005-0.11650.06690.0402-0.0503-0.0153-0.1342-0.25720.1054-0.22490.5191-0.2724-0.1260.160.15240.244784.71639.744322.1924
500.0477-0.05830.06010.0735-0.07380.0806-0.2220.0137-0.00460.17620.05590.0748-0.07170.0609-0.37530.766-0.1178-0.12620.23610.11390.54279.503452.247324.7346
510.03930.01130.03090.01650.05770.2295-0.0152-0.00790.0189-0.0182-0.0290.0062-0.25870.04960.21440.5254-0.1228-0.30330.1173-0.0150.300774.070948.61317.1526
520.0026-0.0011-0.00910.0010.00160.03980.0355-0.0167-0.0123-0.00130.00330.03390.0004-0.00190.00010.67850.1341-0.04750.69840.05580.882871.637824.851213.3105
530.0158-0.0069-0.01650.00250.00520.0168-0.0063-0.0190.090.0174-0.01750.0235-0.0022-0.0283-0.00270.4335-0.2045-0.06120.33280.01280.333980.513932.734821.7043
540.05210.0596-0.03890.1066-0.00310.0691-0.0017-0.0241-0.1037-0.0478-0.0129-0.0541-0.00780.0037-0.18050.3516-0.194-0.10810.19450.15920.325784.637725.937422.2788
550.044-0.04710.02160.07920.0090.04560.0036-0.0084-0.00280.00680.0382-0.03680.02160.01690.04280.5156-0.1348-0.31310.6985-0.03210.5583100.369525.672436.6519
560.13750.0127-0.05910.00250.00140.0618-0.04220.0886-0.13690.0141-0.0024-0.0434-0.04590.0514-0.08890.3333-0.2221-0.22270.48740.13430.585598.154531.067428.2233
570.05170.0208-0.01240.12620.070.0583-0.0840.07380.1164-0.01540.0295-0.0609-0.04090.0718-0.01030.6644-0.18230.08290.42830.11530.604586.234243.842652.4663
580.06850.0897-0.11540.2279-0.19260.2042-0.1099-0.0976-0.0456-0.1816-0.0272-0.1695-0.05290.2689-0.07890.2621-0.0279-0.05480.3374-0.01410.397591.869310.298932.0467
590.04690.04630.03030.060.03360.04880.0158-0.041-0.06-0.01520.0368-0.0687-0.01470.04630.10410.2016-0.08780.04080.44080.11540.495292.3796-1.818732.3057
600.0181-0.0285-0.01940.08740.08410.09190.07910.081-0.0134-0.04280.09250.02280.0598-0.07150.15780.72520.1735-0.03250.37350.14160.465784.4039-3.134915.21
610.00680.0017-0.00070.0003-0.00080.00360.0461-0.02710.0573-0.0427-0.06080.01640.00930.0166-00.3859-0.1184-0.15220.5010.0350.550475.56221.907424.8525
620.0087-0.003-0.00480.0167-0.03250.0679-0.10220.0261-0.0318-0.0111-0.05420.0295-0.04720.0416-0.42370.3033-0.1461-0.08630.34780.08520.538786.70719.5330.7895
630.0882-0.0254-0.00770.09790.0460.0226-0.01020.06870.0445-0.13490.04610.0372-0.1339-0.01940.0010.8444-0.07090.00650.21840.11320.302666.668659.07954.1223
640.20410.0342-0.1680.4421-0.22550.2260.21930.059-0.1-0.04450.10.16120.034-0.22980.67041.04430.1479-0.2160.3830.04050.294357.8555.865245.3336
65-0.0007-0.01240.00370.1295-0.0520.0211-0.1210.14630.1771-0.05240-0.0115-0.19460.0053-0.35371.39120.0301-0.15390.43910.25290.454860.675961.447537.0282
660.0317-0.05160.04060.0839-0.0650.0502-0.02790.05710.0283-0.0097-0.1122-0.1013-0.10790.0855-0.21470.9894-0.1170.09750.46040.07220.36969.926349.508845.0189
670.00430.00290.0040.00350.00180.00360.00360.0798-0.0567-0.02860.0120.01330.03760.0129-01.03620.04950.14371.125-0.16710.817756.045234.688252.2205
680.1404-0.12040.07030.1043-0.05940.05310.05260.16050.0761-0.1132-0.1257-0.10870.04830.0284-0.12780.7708-0.20740.09860.46380.07830.272876.120346.303347.5857
690.02280.0255-0.01180.0291-0.00880.0135-0.03160.0151-0.0089-0.03780.04430.04790.0393-0.0651-0.2320.5921-0.11810.17840.06090.20040.121767.41442.197664.0353
700.1218-0.06460.05810.0669-0.00840.04290.0439-0.04880.0092-0.00010.08150.0256-0.0146-0.11660.35580.5293-0.01080.07940.31650.08290.202972.160950.344564.8377
710.0075-0.00040.00170.00350.00380.0044-0.00680.0060.00870.0285-0.0401-0.012-0.06230.00150.00011.40280.20950.00951.3813-0.2231.376245.464554.093867.7666
720.08690.05280.01540.03210.00890.00260.0911-0.06190.01710.0072-0.0311-0.0222-0.0564-0.05270.0051.66160.62590.19180.88170.09070.527938.459446.380562.5883
730.13820.03730.12030.56480.19690.31240.03650.07670.0391-0.13710.1029-0.14650.03290.09680.38930.3434-0.0799-0.0010.15040.00920.184774.560828.971267.0312
740.01270.00440.02660.00480.01870.2239-0.01340.0103-0.0441-0.0440.0464-0.0241-0.07280.08560.20530.3912-0.00450.09190.18530.02140.435981.671818.9268.4707
750.00340.00170.00240.0011-0.00060.00970.0349-0.00940.07440.05520.0149-0.1204-0.0399-0.0205-00.7737-0.0925-0.0410.74990.17420.70191.766320.527452.6384
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1(chain B and resid 327:357)B327 - 357
2X-RAY DIFFRACTION2(chain B and resid 358:367)B358 - 367
3X-RAY DIFFRACTION3(chain C and resid 7:27)C7 - 27
4X-RAY DIFFRACTION4(chain C and resid 28:79)C28 - 79
5X-RAY DIFFRACTION5(chain C and resid 80:105)C80 - 105
6X-RAY DIFFRACTION6(chain C and resid 106:131)C106 - 131
7X-RAY DIFFRACTION7(chain C and resid 132:151)C132 - 151
8X-RAY DIFFRACTION8(chain C and resid 152:157)C152 - 157
9X-RAY DIFFRACTION9(chain C and resid 158:176)C158 - 176
10X-RAY DIFFRACTION10(chain C and resid 177:225)C177 - 225
11X-RAY DIFFRACTION11(chain C and resid 226:231)C226 - 231
12X-RAY DIFFRACTION12(chain C and resid 232:251)C232 - 251
13X-RAY DIFFRACTION13(chain C and resid 252:282)C252 - 282
14X-RAY DIFFRACTION14(chain C and resid 283:307)C283 - 307
15X-RAY DIFFRACTION15(chain C and resid 308:327)C308 - 327
16X-RAY DIFFRACTION16(chain C and resid 328:364)C328 - 364
17X-RAY DIFFRACTION17(chain C and resid 365:368)C365 - 368
18X-RAY DIFFRACTION18(chain D and resid 8:20)D8 - 20
19X-RAY DIFFRACTION19(chain D and resid 21:72)D21 - 72
20X-RAY DIFFRACTION20(chain D and resid 73:93)D73 - 93
21X-RAY DIFFRACTION21(chain D and resid 94:108)D94 - 108
22X-RAY DIFFRACTION22(chain D and resid 109:137)D109 - 137
23X-RAY DIFFRACTION23(chain D and resid 138:154)D138 - 154
24X-RAY DIFFRACTION24(chain D and resid 155:181)D155 - 181
25X-RAY DIFFRACTION25(chain D and resid 182:225)D182 - 225
26X-RAY DIFFRACTION26(chain D and resid 226:233)D226 - 233
27X-RAY DIFFRACTION27(chain D and resid 234:251)D234 - 251
28X-RAY DIFFRACTION28(chain D and resid 252:283)D252 - 283
29X-RAY DIFFRACTION29(chain D and resid 284:317)D284 - 317
30X-RAY DIFFRACTION30(chain D and resid 318:331)D318 - 331
31X-RAY DIFFRACTION31(chain D and resid 332:364)D332 - 364
32X-RAY DIFFRACTION32(chain D and resid 365:368)D365 - 368
33X-RAY DIFFRACTION33(chain E and resid 8:65)E8 - 65
34X-RAY DIFFRACTION34(chain E and resid 66:94)E66 - 94
35X-RAY DIFFRACTION35(chain E and resid 95:112)E95 - 112
36X-RAY DIFFRACTION36(chain E and resid 113:151)E113 - 151
37X-RAY DIFFRACTION37(chain E and resid 152:175)E152 - 175
38X-RAY DIFFRACTION38(chain E and resid 176:212)E176 - 212
39X-RAY DIFFRACTION39(chain E and resid 213:224)E213 - 224
40X-RAY DIFFRACTION40(chain E and resid 225:232)E225 - 232
41X-RAY DIFFRACTION41(chain E and resid 233:253)E233 - 253
42X-RAY DIFFRACTION42(chain E and resid 254:281)E254 - 281
43X-RAY DIFFRACTION43(chain E and resid 282:305)E282 - 305
44X-RAY DIFFRACTION44(chain E and resid 306:325)E306 - 325
45X-RAY DIFFRACTION45(chain E and resid 326:334)E326 - 334
46X-RAY DIFFRACTION46(chain E and resid 335:363)E335 - 363
47X-RAY DIFFRACTION47(chain E and resid 364:368)E364 - 368
48X-RAY DIFFRACTION48(chain A and resid 5:19)A5 - 19
49X-RAY DIFFRACTION49(chain A and resid 20:60)A20 - 60
50X-RAY DIFFRACTION50(chain A and resid 61:89)A61 - 89
51X-RAY DIFFRACTION51(chain A and resid 90:128)A90 - 128
52X-RAY DIFFRACTION52(chain A and resid 129:133)A129 - 133
53X-RAY DIFFRACTION53(chain A and resid 134:154)A134 - 154
54X-RAY DIFFRACTION54(chain A and resid 155:205)A155 - 205
55X-RAY DIFFRACTION55(chain A and resid 206:211)A206 - 211
56X-RAY DIFFRACTION56(chain A and resid 212:228)A212 - 228
57X-RAY DIFFRACTION57(chain A and resid 229:250)A229 - 250
58X-RAY DIFFRACTION58(chain A and resid 251:281)A251 - 281
59X-RAY DIFFRACTION59(chain A and resid 282:306)A282 - 306
60X-RAY DIFFRACTION60(chain A and resid 307:325)A307 - 325
61X-RAY DIFFRACTION61(chain A and resid 326:336)A326 - 336
62X-RAY DIFFRACTION62(chain A and resid 337:368)A337 - 368
63X-RAY DIFFRACTION63(chain B and resid 8:51)B8 - 51
64X-RAY DIFFRACTION64(chain B and resid 52:81)B52 - 81
65X-RAY DIFFRACTION65(chain B and resid 82:131)B82 - 131
66X-RAY DIFFRACTION66(chain B and resid 132:151)B132 - 151
67X-RAY DIFFRACTION67(chain B and resid 152:159)B152 - 159
68X-RAY DIFFRACTION68(chain B and resid 160:185)B160 - 185
69X-RAY DIFFRACTION69(chain B and resid 186:212)B186 - 212
70X-RAY DIFFRACTION70(chain B and resid 213:225)B213 - 225
71X-RAY DIFFRACTION71(chain B and resid 226:234)B226 - 234
72X-RAY DIFFRACTION72(chain B and resid 235:251)B235 - 251
73X-RAY DIFFRACTION73(chain B and resid 252:284)B252 - 284
74X-RAY DIFFRACTION74(chain B and resid 285:314)B285 - 314
75X-RAY DIFFRACTION75(chain B and resid 315:326)B315 - 326

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