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- PDB-7jq7: The Phi-28 gp11 DNA packaging Motor -

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Basic information

Entry
Database: PDB / ID: 7jq7
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) / IODIDE ION / Encapsidation protein
Function and homology information
Biological speciesLactococcus phage asccphi28 (virus)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 2.895 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
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)242,166138
Polymers225,3495
Non-polymers16,817133
Water19811
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 area19200 Å2
ΔGint-62 kcal/mol
Surface area81290 Å2
MethodPISA
Unit cell
Length a, b, c (Å)112.200, 112.200, 354.200
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 12 or (resid 13...
21(chain B and (resid 9 through 11 or (resid 12...
31(chain C and (resid 9 through 11 or (resid 12...
41(chain D and (resid 9 through 27 or resid 29...
51(chain E and (resid 9 through 11 or (resid 12...

NCS domain segments:
Dom-IDComponent-IDEns-IDSelection detailsAuth asym-IDAuth seq-ID
111(chain A and (resid 9 through 12 or (resid 13...A9 - 12
121(chain A and (resid 9 through 12 or (resid 13...A13
131(chain A and (resid 9 through 12 or (resid 13...A3 - 368
141(chain A and (resid 9 through 12 or (resid 13...A3 - 368
151(chain A and (resid 9 through 12 or (resid 13...A3 - 368
161(chain A and (resid 9 through 12 or (resid 13...A3 - 368
211(chain B and (resid 9 through 11 or (resid 12...B9 - 11
221(chain B and (resid 9 through 11 or (resid 12...B12 - 13
231(chain B and (resid 9 through 11 or (resid 12...B5 - 368
241(chain B and (resid 9 through 11 or (resid 12...B5 - 368
251(chain B and (resid 9 through 11 or (resid 12...B5 - 368
261(chain B and (resid 9 through 11 or (resid 12...B5 - 368
311(chain C and (resid 9 through 11 or (resid 12...C9 - 11
321(chain C and (resid 9 through 11 or (resid 12...C12 - 13
331(chain C and (resid 9 through 11 or (resid 12...C2 - 368
341(chain C and (resid 9 through 11 or (resid 12...C2 - 368
351(chain C and (resid 9 through 11 or (resid 12...C2 - 368
361(chain C and (resid 9 through 11 or (resid 12...C2 - 368
411(chain D and (resid 9 through 27 or resid 29...D9 - 27
421(chain D and (resid 9 through 27 or resid 29...D29 - 66
431(chain D and (resid 9 through 27 or resid 29...D68 - 72
441(chain D and (resid 9 through 27 or resid 29...D74
451(chain D and (resid 9 through 27 or resid 29...D83 - 92
461(chain D and (resid 9 through 27 or resid 29...D97 - 106108
471(chain D and (resid 9 through 27 or resid 29...D5 - 368
481(chain D and (resid 9 through 27 or resid 29...D5 - 368
491(chain D and (resid 9 through 27 or resid 29...D5 - 368
4101(chain D and (resid 9 through 27 or resid 29...D5 - 368
4111(chain D and (resid 9 through 27 or resid 29...D5 - 368
511(chain E and (resid 9 through 11 or (resid 12...E9 - 11
521(chain E and (resid 9 through 11 or (resid 12...E12 - 13
531(chain E and (resid 9 through 11 or (resid 12...E5 - 368
541(chain E and (resid 9 through 11 or (resid 12...E5 - 368
551(chain E and (resid 9 through 11 or (resid 12...E5 - 368
561(chain E and (resid 9 through 11 or (resid 12...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-IOD / IODIDE ION


Mass: 126.904 Da / Num. of mol.: 131 / Source method: obtained synthetically / Formula: I
#3: Chemical ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: SO4
#4: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 11 / 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: 2.41 Å3/Da / Density % sol: 48.88 %
Crystal growTemperature: 292 K / Method: vapor diffusion, sitting drop / pH: 8.1
Details: 1.0 M trisodium citrate; 0.1 M tris(hydroxymethyl)aminomethane (Tris), pH 8.1

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 21-ID-G / Wavelength: 0.97872 Å
DetectorType: RAYONIX MX-300 / Detector: CCD / Date: Aug 17, 2016
RadiationMonochromator: Diamond [111] / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97872 Å / Relative weight: 1
ReflectionResolution: 2.895→50 Å / Num. obs: 78650 / % possible obs: 99.9 % / Redundancy: 17.3 % / Biso Wilson estimate: 51.89 Å2 / CC1/2: 0.985 / CC star: 0.705 / Rmerge(I) obs: 0.167 / Rpim(I) all: 0.041 / Rrim(I) all: 0.172 / Χ2: 1.034 / Net I/σ(I): 19.2
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsMean I/σ(I) obsNum. unique obsCC1/2CC starRpim(I) allRrim(I) allΧ2% possible all
2.895-3.059.22.2122850.330.7050.7612.3320.95399.9
3.05-3.1110.21.7651.3922890.5220.8280.5761.8590.951100
3.11-3.1711.51.4841.8122650.6640.8930.4571.5540.961100
3.17-3.2313.21.2562.3723020.7570.9280.3571.3070.998100
3.23-3.315.61.0883.1823030.8560.9610.2821.1250.981100
3.3-3.3816.90.794.2922900.920.9790.1960.8150.96100
3.38-3.4618.60.6775.5622820.9580.9890.160.6961.004100
3.46-3.5619.80.586.8723090.9690.9920.1320.5950.941100
3.56-3.6619.70.458.823010.9770.9940.1020.4620.97100
3.66-3.7819.80.32312.1223240.9880.9970.0740.3311.005100
3.78-3.9119.80.2814.1323050.9910.9980.0640.2881.011100
3.91-4.0719.80.2231723160.9940.9980.0510.2291.008100
4.07-4.2619.70.18420.323250.9950.9990.0420.1881.0399.8
4.26-4.4819.60.14826.323360.9960.9990.0340.1521.09299.8
4.48-4.7619.50.12530.923310.9970.9990.0290.1291.12799.8
4.76-5.1319.40.11831.923780.9970.9990.0270.1211.1100
5.13-5.6419.40.11132.623630.9970.9990.0260.1141.069100
5.64-6.4619.20.137.823770.9970.9990.0230.1031.193100
6.46-8.1318.80.0814124390.9980.9990.0190.0831.19799.8
8.13-5016.30.04746.726050.9960.9990.0120.0490.95699.4

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Phasing

PhasingMethod: molecular replacement
Phasing MR
Highest resolutionLowest resolution
Rotation8.13 Å49.68 Å
Translation8.13 Å49.68 Å

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Processing

Software
NameVersionClassification
HKL-2000data scaling
PHASER2.7.18phasing
PHENIX1.13rc2_2986refinement
PDB_EXTRACT3.25data extraction
HKL-2000data reduction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 7JQ6

7jq6


Resolution: 2.895→49.6886 Å / SU ML: 0.37 / Cross valid method: THROUGHOUT / σ(F): 1.33 / Phase error: 30.4 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.2837 3690 4.7 %Random
Rwork0.2346 74804 --
obs0.237 78494 81.61 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 228.58 Å2 / Biso mean: 63.5796 Å2 / Biso min: 5.38 Å2
Refinement stepCycle: final / Resolution: 2.895→49.6886 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms15119 0 141 11 15271
Biso mean--86.82 40.2 -
Num. residues----1825
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11A7444X-RAY DIFFRACTION12.216TORSIONAL
12B7444X-RAY DIFFRACTION12.216TORSIONAL
13C7444X-RAY DIFFRACTION12.216TORSIONAL
14D7444X-RAY DIFFRACTION12.216TORSIONAL
15E7444X-RAY DIFFRACTION12.216TORSIONAL
LS refinement shell

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

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork% reflection obs (%)
2.8954-2.93350.3567170.39873059
2.9335-2.97370.325190.354942412
2.9737-3.01620.349310.380857016
3.0162-3.06120.5098380.357977822
3.0612-3.1090.3354520.3453105730
3.109-3.160.3936890.3307187354
3.16-3.21450.39521500.3149299784
3.2145-3.27290.3141680.3248339898
3.2729-3.33590.33441700.30053523100
3.3359-3.40390.30531770.27913567100
3.4039-3.47790.35231770.27863500100
3.4779-3.55880.30641770.26483530100
3.5588-3.64780.32031740.25513512100
3.6478-3.74640.29711730.23393556100
3.7464-3.85660.32481750.22393518100
3.8566-3.9810.29821770.223519100
3.981-4.12320.23031710.20853503100
4.1232-4.28820.27071690.20483539100
4.2882-4.48330.23921770.18783531100
4.4833-4.71950.22011720.17963491100
4.7195-5.01490.2451760.19423500100
5.0149-5.40170.28591750.20523518100
5.4017-5.94450.23691770.22263543100
5.9445-6.80280.34971790.2413510100
6.8028-8.56370.28921650.25073527100
8.5637-49.6810.23151650.2142351599
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)
10.03660.002-0.01420.0176-0.00760.0147-0.01770.07960.0722-0.2454-0.07910.01220.02950.11750.00010.4191-0.08880.00840.4666-0.08220.400765.123969.922919.443
20.03340.0146-0.02910.0145-0.00710.02870.05530.0171-0.0228-0.01080.0472-0.00320.0246-0.05370.00250.8135-0.192-0.00020.9573-0.32110.722852.865771.769216.2125
30.11290.01640.06350.01790.0060.03480.0545-0.0375-0.1496-0.01880.05960.14490.00520.03140.02050.41960.02970.19781.0784-0.07440.774624.689743.827856.9691
40.1177-0.0775-0.00350.2169-0.04680.0159-0.25850.0529-0.0042-0.06080.05960.2270.0585-0.0415-0.29170.17610.06210.03190.5087-0.15340.466927.242553.191150.3223
50.06930.0139-0.0683-0.00080.01170.2504-0.1202-0.10680.04510.064-0.08170.3113-0.0477-0.1494-0.17630.1412-0.07950.03880.8221-0.11070.902314.280557.332250.3395
60.1967-0.18710.02790.2302-0.09650.1935-0.0517-0.08530.07510.04290.16860.1325-0.0754-0.2099-0.07730.11860.0442-0.00740.3468-0.11250.589919.619665.42348.9402
70.00550.00340.00010.0079-0.00150.00330.00730.01830.0116-0.04570.0407-0.033-0.02020.0144-0.00010.72350.1806-0.26930.8346-0.22940.680941.518964.890338.5059
80.16030.01270.03590.0678-0.05150.2350.0055-0.06020.0178-0.00960.1230.06180.0256-0.07560.38270.0910.0553-0.00930.4502-0.18230.487432.972354.958144.9057
90.0888-0.03610.00540.025-0.030.08280.051-0.10740.0049-0.00940.06680.1069-0.05630.08180.5242-0.1119-0.04470.05540.3915-0.19510.537539.549749.933144.6805
100.00970.0040.00040.00270.00150.00070.0865-0.0276-0.02110.00650.1019-0.01670.0198-0.0121-0.00010.54190.00210.10580.4762-0.22110.847736.842129.750949.0294
110.0393-0.0220.03190.035-0.02970.0305-0.05590.0035-0.1015-0.01140.07660.21430.26880.0899-0.00180.257-0.0662-0.00770.5086-0.06630.680235.118438.425553.8278
120.0445-0.00260.03610.0121-0.00980.03930.1063-0.0697-0.0315-0.0220.007-0.1442-0.03490.050.13460.15450.02470.10760.49410.00220.390410.392630.73138.8429
130.0778-0.0025-0.00640.1613-0.09430.0719-0.0085-0.1821-0.0461-0.09880.10150.2186-0.04950.17410.12150.26190.0945-0.15130.5267-0.13680.34150.310734.714838.0706
140.16480.0332-0.010.29970.02990.0106-0.0341-0.0506-0.0072-0.0778-0.02140.0344-0.04350.1222-0.11590.1766-0.0108-0.03830.6044-0.14550.165860.813431.60133.2036
150.013-0.01890.00180.01670.00140.0229-0.1703-0.02660.252-0.0023-0.08950.17130.17840.0031-0.00020.3445-0.0479-0.00390.6851-0.16740.551468.120948.639935.0537
160.00170.0035-0.00160.0096-0.00040.00040.07140.05230.1018-0.0175-0.0319-0.0293-0.0354-0.0114-00.53020.094-0.01260.34290.0380.417557.743348.542125.8271
170.08860.035-0.02650.0436-0.00650.0192-0.015-0.02220.185-0.3282-0.15780.1830.0332-0.1622-0.06380.29790.0346-0.01980.4083-0.0690.193750.468238.859134.6143
180.0785-0.0609-0.04020.0510.0340.01860.0516-0.0116-0.0383-0.07390.01810.24160.0007-0.12420.12260.02910.2075-0.01950.5602-0.16860.367-8.216346.042229.619
190.01710.06-0.0240.2271-0.08760.0442-0.02080.08670.0152-0.2619-0.13070.1378-0.0867-0.1857-0.76070.15650.1220.02480.3358-0.26880.1175-2.693857.024827.2608
200.11290.1628-0.11350.3018-0.17910.13370.11870.03810.11190.20330.02770.1212-0.1182-0.06020.07570.19650.1135-0.00080.4457-0.16280.3651-3.552662.036635.8767
210.04670.10170.0090.2167-0.01350.2714-0.0617-0.08950.1597-0.04630.14280.0579-0.05-0.04350.37730.1154-0.03810.01830.4975-0.27160.29125.223747.397232.8341
220.0127-0.01040.00970.0123-0.00360.01380.00490.02310.0442-0.1018-0.0662-0.0241-0.03680.06710.00040.5713-0.13640.24170.8360.06430.662713.08747.509312.1974
230.0024-0.0014-0.01650.04270.13010.47450.0114-0.1153-0.06260.16290.14720.0555-0.11630.18230.16810.2160.03260.19710.4454-0.12380.22217.860541.135435.2329
240.00660.00430.00490.00880.0073-0.0007-0.01670.0691-0.1035-0.08210.0703-0.0050.08680.04430.08350.139-0.08230.09180.3653-0.17520.10973.027233.807518.1889
250.03480.00370.01250.01270.00170.00580.3239-0.0397-0.1010.1073-0.1035-0.1544-0.0729-0.17660.00090.51350.023-0.00580.4805-0.04160.2707-3.684731.817125.1072
26-0.0018-0.00090.0003-0.0006-0.00060.0003-0.0505-0.0627-0.05340.09240.07380.11830.09020.08960.00030.7413-0.1576-0.10210.6617-0.3311.0176-13.976249.22888.0954
270.03730.04590.02950.05370.04660.08920.0156-0.0148-0.0437-0.0283-0.00690.05560.0424-0.0934-0.08270.3015-0.36750.03360.5069-0.27480.5275-5.855254.62990.8625
280.0636-0.00540.01990.0370.04180.0471-0.22970.06430.00730.1140.09130.01270.10460.0183-0.00010.5757-0.010.08970.4634-0.07620.359914.68724.537116.0155
290.0135-0.02770.0260.0428-0.04360.0529-0.06-0.25650.04070.18010.0146-0.1237-0.0819-0.1651-0.110.4039-0.07540.13310.3613-0.11580.117524.193616.677516.2497
300.00660.0090.00520.00810.00450.0059-0.0169-0.011-0.06570.00420.02310.06580.00410.02501.00360.1132-0.21920.6997-0.0560.558931.781822.220432.5047
310.04-0.08730.07470.1727-0.16080.1577-0.01880.0304-0.1739-0.043-0.0896-0.0116-0.14210.0012-0.09450.1826-0.12090.05570.391-0.08060.40721.510227.702915.9146
320.03310.0040.00260.02350.00280.0075-0.0374-0.02110.0620.06250.06780.0736-0.01070.05230.00050.2013-0.0587-0.00620.3857-0.08490.294919.537131.377821.8458
330.0655-0.00440.05220.0585-0.00390.04640.05820.0580.1113-0.1739-0.10160.1046-0.0651-0.1224-0.09880.43820.062-0.0010.3354-0.19240.3909-2.645779.3536-1.8866
340.0277-0.0294-0.05170.04660.05050.22370.0725-0.05530.1267-0.0465-0.05150.0234-0.24230.06010.05570.262-0.07640.07770.2563-0.49060.31691.62679.178312.2972
350.0228-0.0052-0.00730.06320.01010.00470.04830.07220.0184-0.11190.0041-0.0942-0.22590.02130.04790.4068-0.03890.2090.5739-0.36720.3333-2.304289.313323.3057
360.0156-0.01680.01970.03130.00170.07980.0212-0.1489-0.00570.09950.0454-0.01370.05580.07770.09320.2180.00050.05670.3797-0.18820.41882.137171.324720.7
370.02440.0758-0.02650.28370.01630.2185-0.0772-0.0897-0.03420.0353-0.22070.13390.1928-0.1953-0.68410.15130.04340.13230.448-0.14450.12251.074166.832410.6282
380.007-0.00980.00410.0213-0.0070.0054-0.05770.00040.0272-0.0103-0.0063-0.0538-0.01310.0149-00.79540.16750.07340.8446-0.2291.17820.564569.23790.1059
390.19580.001-0.06890.0171-0.01680.1589-0.04-0.0386-0.00080.1119-0.05570.09340.07270.0156-0.5110.2042-0.10240.17320.3303-0.25560.10893.630158.60626.2544
400.08950.00810.10830.16510.08520.1647-0.04580.03970.0699-0.2226-0.1730.26980.0581-0.343-0.4560.3139-0.0486-0.00620.2092-0.35880.1792-0.64668.1904-5.1559
41-0.00050.0013-0.00050.0059-0.00230.0005-0.04930.0326-0.0338-0.0067-0.0061-0.00110.0075-0.0127-0.00011.01220.04480.15130.6775-0.00131.06978.547988.792-10.2136
420.017-0.00540.01020.0039-0.00540.00860.13060.1441-0.0531-0.0260.11040.0087-0.0362-0.00910.00010.7744-0.050.07440.35360.01110.494921.032891.5643-5.2765
430.3325-0.12750.06940.1054-0.0930.09460.01520.32580.16290.0027-0.24140.1829-0.0833-0.1232-0.07310.5285-0.10720.07220.4346-0.0550.27258.789354.5879-15.142
440.0565-0.0088-0.0250.0556-0.0080.02460.1857-0.0725-0.0389-0.2293-0.07110.22630.07690.0656-0.00130.3377-0.0148-0.01860.3822-0.12280.390711.853844.7274-20.9553
450.03690.0045-0.00690.022-0.05540.13770.0248-0.0167-0.06240.07180.0652-0.06840.05090.00120.05360.6021-0.04570.10130.3104-0.07090.18536.303135.412-5.3575
460.14980.0972-0.08320.2592-0.1520.37520.13680.14630.043-0.02060.1213-0.1281-0.130.02170.1110.4349-0.09210.02510.29-0.02050.290312.733351.1104-10.3016
470.0388-0.0550.06080.0793-0.0880.1084-0.1108-0.00590.04930.10160.0262-0.0386-0.0868-0.0088-0.14610.4487-0.1180.00310.5118-0.2840.387714.815751.24090.2611
480.04210.00750.04370.0253-0.01470.0641-0.0824-0.02310.04760.13890.1351-0.12030.04920.04180.14040.925-0.15830.21910.946-0.54760.721332.5076104.100713.3022
490.12170.0676-0.09610.0348-0.03430.0776-0.0081-0.4557-0.05390.03390.0259-0.0492-0.01760.2655-0.03480.4637-0.04440.10740.8981-0.17080.336127.547291.429819.5469
501.0012-0.24690.32330.2537-0.09740.10720.3412-0.0884-0.08760.02410.2718-0.1095-0.1144-0.01750.12220.9758-0.1430.10971.6903-0.35190.62125.677897.766134.0558
510.00070.001-0.00270.0060.00450.00440.05760.13020.06780.06510.0511-0.0109-0.0065-0.0050.00010.7904-0.19780.0971.1531-0.23370.468318.288796.52834.299
520.0849-0.0132-0.02960.0079-0.00250.03130.0628-0.02660.00860.0601-0.12240.08490.10080.08120.06110.5966-0.01660.2470.9756-0.14420.455517.250684.57718.452
530.13610.0499-0.01250.05090.05680.1074-0.0174-0.0488-0.04080.02250.1089-0.0814-0.1906-0.02090.03910.5919-0.18660.28440.625-0.15780.311530.359587.497812.196
540.1004-0.10620.01860.36850.07210.04930.1734-0.2584-0.10750.1288-0.30850.26860.09070.0394-0.00550.4336-0.09720.21470.4480.00550.428324.238884.6745.3924
550.0038-0.0042-0.020.1329-0.05270.1734-0.0126-0.12630.0932-0.14670.0467-0.0406-0.08670.18780.04580.3526-0.28370.30070.5264-0.10740.230636.755694.28472.8907
560.00340.00120.00640.00240.00480.01170.02260.15080.02120.0305-0.03210.0035-0.001-0.06630.00010.7454-0.3213-0.18670.9852-0.05511.026652.767199.372321.0789
570.0084-0.0014-0.00720.0079-0.00890.01470.1158-0.00080.14470.0013-0.0143-0.0153-0.09490.17590.00010.9309-0.4170.07420.9143-0.03740.503357.385389.414925.803
580.1911-0.228-0.16570.28160.22170.18470.0695-0.1766-0.193-0.1169-0.33150.0095-0.11860.1311-0.04160.635-0.10760.1130.40390.02340.370141.487783.6579-11.5902
590.01170.0020.02890.03340.01040.0552-0.1074-0.08260.0558-0.050.12540.0042-0.21370.0995-00.4789-0.00780.06820.3299-0.06670.360838.564777.1701-21.3268
600.0058-0.005-0.00720.01390.00950.0260.00940.0045-0.1025-0.0101-0.0229-0.0476-0.047-0.1556-0.00070.6891-0.04040.14610.4575-0.11270.554125.093270.5553-18.6385
610.1010.0122-0.07540.0018-0.00510.0622-0.1298-0.2062-0.0991-0.0731-0.00360.25920.03830.2566-0.00450.4863-0.07940.04520.3158-0.11350.399939.755778.5421-9.8696
620.0075-0.0040.01240.0032-0.0060.02650.0345-0.0172-0.01980.0519-0.0173-0.02310.0140.0225-0.00020.73840.00450.00080.71720.04320.870632.608271.71-3.1509
630.11090.07470.06130.07630.05560.0451-0.0204-0.0340.02460.06310.07480.1523-0.01330.06830.18890.2118-0.02-0.09640.5207-0.13820.439547.202379.932844.907
640.0938-0.0092-0.01640.1019-0.04070.024-0.1053-0.00730.02810.10630.0720.080.0959-0.07880.01220.1891-0.0367-0.01590.2186-0.11440.498833.600778.745954.8363
650.10970.1742-0.23350.2878-0.38220.51150.12770.10330.26540.04520.31110.3666-0.0391-0.14670.31570.36860.0721-0.12380.5698-0.24620.771830.172184.708650.9523
660.2093-0.1085-0.04670.2614-0.40270.96290.0609-0.00620.01620.02420.28540.0909-0.2189-0.09570.22080.3738-0.0965-0.00640.2919-0.1910.586440.231983.31536.5067
670.0088-0.00190.00940.00990.01750.03430.2428-0.0139-0.0859-0.1490.0670.07930.1342-0.066700.60570.0089-0.15190.3752-0.02250.499649.016775.163227.3062
680.10560.044-0.12440.015-0.05050.14790.01160.11430.116-0.12160.10750.0578-0.26090.0311-0.02150.2756-0.0741-0.0410.341-0.11190.364157.886278.879935.7377
690.0077-0.00180.00370.01250.00330.0024-0.0492-0.00540.0244-0.03420.0289-0.0577-0.12680.0926-00.4129-0.18830.08430.5156-0.07670.328363.711881.390140.1543
700.00080.0058-0.00420.0141-0.01360.0105-0.1289-0.0541-0.03720.0376-0.01210.04970.02670.0636-0.00030.82260.0553-0.13330.9004-0.16490.772657.899363.370554.0688
710.023-0.0139-0.02790.12950.03620.0399-0.0344-0.098-0.1139-0.0370.1397-0.1595-0.02040.04090.04740.1345-0.0574-0.01030.7637-0.23450.41850.758753.328851.3404
720.2864-0.0605-0.14930.1841-0.04170.38390.0503-0.1889-0.073-0.1731-0.03950.0125-0.2749-0.19780.00290.3467-0.15120.01310.3-0.08410.355668.967471.692120.4637
730.0775-0.0268-0.0160.01480.02570.0697-0.0228-0.02050.01980.05580.04130.0158-0.07470.13030.02280.5271-0.13050.10960.4064-0.19720.349773.814869.188912.2098
740.014-0.00750.01140.007-0.00010.0108-0.00130.0671-0.02370.01170.0814-0.0256-0.1623-0.13830.00020.6739-0.03980.160.4843-0.10180.437364.237582.43663.669
750.006-0.0152-0.01870.03910.0550.09090.00990.0534-0.0114-0.04170.0740.0293-0.01430.07360.00330.6793-0.1906-0.04771.38640.24790.824755.323371.81145.543
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1(chain E and resid 335:363)E335 - 363
2X-RAY DIFFRACTION2(chain E and resid 364:368)E364 - 368
3X-RAY DIFFRACTION3(chain A and resid 1:19)A1 - 19
4X-RAY DIFFRACTION4(chain A and resid 20:60)A20 - 60
5X-RAY DIFFRACTION5(chain A and resid 61:89)A61 - 89
6X-RAY DIFFRACTION6(chain A and resid 90:128)A90 - 128
7X-RAY DIFFRACTION7(chain A and resid 129:133)A129 - 133
8X-RAY DIFFRACTION8(chain A and resid 134:154)A134 - 154
9X-RAY DIFFRACTION9(chain A and resid 155:205)A155 - 205
10X-RAY DIFFRACTION10(chain A and resid 206:211)A206 - 211
11X-RAY DIFFRACTION11(chain A and resid 212:228)A212 - 228
12X-RAY DIFFRACTION12(chain A and resid 229:250)A229 - 250
13X-RAY DIFFRACTION13(chain A and resid 251:281)A251 - 281
14X-RAY DIFFRACTION14(chain A and resid 282:306)A282 - 306
15X-RAY DIFFRACTION15(chain A and resid 307:325)A307 - 325
16X-RAY DIFFRACTION16(chain A and resid 326:336)A326 - 336
17X-RAY DIFFRACTION17(chain A and resid 337:368)A337 - 368
18X-RAY DIFFRACTION18(chain B and resid 1:51)B1 - 51
19X-RAY DIFFRACTION19(chain B and resid 52:81)B52 - 81
20X-RAY DIFFRACTION20(chain B and resid 82:131)B82 - 131
21X-RAY DIFFRACTION21(chain B and resid 132:151)B132 - 151
22X-RAY DIFFRACTION22(chain B and resid 152:159)B152 - 159
23X-RAY DIFFRACTION23(chain B and resid 160:185)B160 - 185
24X-RAY DIFFRACTION24(chain B and resid 186:212)B186 - 212
25X-RAY DIFFRACTION25(chain B and resid 213:225)B213 - 225
26X-RAY DIFFRACTION26(chain B and resid 226:234)B226 - 234
27X-RAY DIFFRACTION27(chain B and resid 235:251)B235 - 251
28X-RAY DIFFRACTION28(chain B and resid 252:284)B252 - 284
29X-RAY DIFFRACTION29(chain B and resid 285:314)B285 - 314
30X-RAY DIFFRACTION30(chain B and resid 315:326)B315 - 326
31X-RAY DIFFRACTION31(chain B and resid 327:357)B327 - 357
32X-RAY DIFFRACTION32(chain B and resid 358:367)B358 - 367
33X-RAY DIFFRACTION33(chain C and resid 1:27)C1 - 27
34X-RAY DIFFRACTION34(chain C and resid 28:79)C28 - 79
35X-RAY DIFFRACTION35(chain C and resid 80:105)C80 - 105
36X-RAY DIFFRACTION36(chain C and resid 106:131)C106 - 131
37X-RAY DIFFRACTION37(chain C and resid 132:151)C132 - 151
38X-RAY DIFFRACTION38(chain C and resid 152:157)C152 - 157
39X-RAY DIFFRACTION39(chain C and resid 158:176)C158 - 176
40X-RAY DIFFRACTION40(chain C and resid 177:225)C177 - 225
41X-RAY DIFFRACTION41(chain C and resid 226:231)C226 - 231
42X-RAY DIFFRACTION42(chain C and resid 232:251)C232 - 251
43X-RAY DIFFRACTION43(chain C and resid 252:282)C252 - 282
44X-RAY DIFFRACTION44(chain C and resid 283:307)C283 - 307
45X-RAY DIFFRACTION45(chain C and resid 308:327)C308 - 327
46X-RAY DIFFRACTION46(chain C and resid 328:364)C328 - 364
47X-RAY DIFFRACTION47(chain C and resid 365:368)C365 - 368
48X-RAY DIFFRACTION48(chain D and resid 1:20)D1 - 20
49X-RAY DIFFRACTION49(chain D and resid 21:72)D21 - 72
50X-RAY DIFFRACTION50(chain D and resid 73:93)D73 - 93
51X-RAY DIFFRACTION51(chain D and resid 94:108)D94 - 108
52X-RAY DIFFRACTION52(chain D and resid 109:137)D109 - 137
53X-RAY DIFFRACTION53(chain D and resid 138:154)D138 - 154
54X-RAY DIFFRACTION54(chain D and resid 155:181)D155 - 181
55X-RAY DIFFRACTION55(chain D and resid 182:225)D182 - 225
56X-RAY DIFFRACTION56(chain D and resid 226:233)D226 - 233
57X-RAY DIFFRACTION57(chain D and resid 234:251)D234 - 251
58X-RAY DIFFRACTION58(chain D and resid 252:283)D252 - 283
59X-RAY DIFFRACTION59(chain D and resid 284:317)D284 - 317
60X-RAY DIFFRACTION60(chain D and resid 318:331)D318 - 331
61X-RAY DIFFRACTION61(chain D and resid 332:364)D332 - 364
62X-RAY DIFFRACTION62(chain D and resid 365:368)D365 - 368
63X-RAY DIFFRACTION63(chain E and resid 1:65)E1 - 65
64X-RAY DIFFRACTION64(chain E and resid 66:94)E66 - 94
65X-RAY DIFFRACTION65(chain E and resid 95:112)E95 - 112
66X-RAY DIFFRACTION66(chain E and resid 113:151)E113 - 151
67X-RAY DIFFRACTION67(chain E and resid 152:175)E152 - 175
68X-RAY DIFFRACTION68(chain E and resid 176:212)E176 - 212
69X-RAY DIFFRACTION69(chain E and resid 213:224)E213 - 224
70X-RAY DIFFRACTION70(chain E and resid 225:232)E225 - 232
71X-RAY DIFFRACTION71(chain E and resid 233:253)E233 - 253
72X-RAY DIFFRACTION72(chain E and resid 254:281)E254 - 281
73X-RAY DIFFRACTION73(chain E and resid 282:305)E282 - 305
74X-RAY DIFFRACTION74(chain E and resid 306:325)E306 - 325
75X-RAY DIFFRACTION75(chain E and resid 326:334)E326 - 334

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