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- PDB-5dcx: Structural studies of AAV2 Rep68 reveal a partially structured li... -

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Basic information

Entry
Database: PDB / ID: 5dcx
TitleStructural studies of AAV2 Rep68 reveal a partially structured linker and compact domain conformation
ComponentsProtein Rep68
KeywordsDNA BINDING PROTEIN / Parvovirus / Adeno-Associated Virus / DNA replication / Small-angle X-ray scattering / Rep proteins
Function / homology
Function and homology information


symbiont-mediated arrest of host cell cycle during G2/M transition / permeabilization of host organelle membrane involved in viral entry into host cell / symbiont entry into host cell via permeabilization of inner membrane / viral DNA genome replication / symbiont-mediated perturbation of host cell cycle G1/S transition checkpoint / endonuclease activity / DNA helicase / DNA replication / host cell nucleus / ATP hydrolysis activity ...symbiont-mediated arrest of host cell cycle during G2/M transition / permeabilization of host organelle membrane involved in viral entry into host cell / symbiont entry into host cell via permeabilization of inner membrane / viral DNA genome replication / symbiont-mediated perturbation of host cell cycle G1/S transition checkpoint / endonuclease activity / DNA helicase / DNA replication / host cell nucleus / ATP hydrolysis activity / DNA binding / ATP binding / metal ion binding
Similarity search - Function
Parvovirus (PV) NS1 nuclease (NS1-Nuc) domain profile. / Rep protein catalytic-like / Rep protein catalytic domain like / Parvovirus non-structural protein 1, helicase domain / Parvovirus non-structural protein NS1 / Replication Protein E1; Chain: A, - #20 / Replication Protein E1; Chain: A, / Helicase, superfamily 3, DNA virus / Superfamily 3 helicase of DNA viruses domain profile. / P-loop containing nucleoside triphosphate hydrolase ...Parvovirus (PV) NS1 nuclease (NS1-Nuc) domain profile. / Rep protein catalytic-like / Rep protein catalytic domain like / Parvovirus non-structural protein 1, helicase domain / Parvovirus non-structural protein NS1 / Replication Protein E1; Chain: A, - #20 / Replication Protein E1; Chain: A, / Helicase, superfamily 3, DNA virus / Superfamily 3 helicase of DNA viruses domain profile. / P-loop containing nucleoside triphosphate hydrolase / 3-Layer(aba) Sandwich / Alpha Beta
Similarity search - Domain/homology
Biological speciesAdeno-associated virus 2
MethodX-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2.6 Å
AuthorsMusayev, F.N. / Zarate-Perez, F.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)R01-GM092854 United States
CitationJournal: Biochemistry / Year: 2015
Title: Structural Studies of AAV2 Rep68 Reveal a Partially Structured Linker and Compact Domain Conformation.
Authors: Musayev, F.N. / Zarate-Perez, F. / Bardelli, M. / Bishop, C. / Saniev, E.F. / Linden, R.M. / Henckaerts, E. / Escalante, C.R.
History
DepositionAug 24, 2015Deposition site: RCSB / Processing site: RCSB
Revision 1.0Sep 23, 2015Provider: repository / Type: Initial release
Revision 1.1Oct 14, 2015Group: Database references
Revision 1.2Sep 13, 2017Group: Author supporting evidence / Database references / Derived calculations
Category: citation / pdbx_audit_support / pdbx_struct_oper_list
Item: _citation.journal_id_CSD / _pdbx_audit_support.funding_organization / _pdbx_struct_oper_list.symmetry_operation
Revision 1.3Nov 22, 2017Group: Refinement description / Category: software
Revision 1.4Dec 25, 2019Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.5Sep 27, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_conn
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

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Protein Rep68
B: Protein Rep68
C: Protein Rep68
D: Protein Rep68
E: Protein Rep68
F: Protein Rep68
G: Protein Rep68
H: Protein Rep68
I: Protein Rep68
J: Protein Rep68
K: Protein Rep68
hetero molecules


Theoretical massNumber of molelcules
Total (without water)287,40722
Polymers287,13911
Non-polymers26711
Water3,117173
1
A: Protein Rep68
hetero molecules


Theoretical massNumber of molelcules
Total (without water)26,1282
Polymers26,1041
Non-polymers241
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: Protein Rep68
hetero molecules


Theoretical massNumber of molelcules
Total (without water)26,1282
Polymers26,1041
Non-polymers241
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
C: Protein Rep68
hetero molecules


Theoretical massNumber of molelcules
Total (without water)26,1282
Polymers26,1041
Non-polymers241
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
D: Protein Rep68
hetero molecules


Theoretical massNumber of molelcules
Total (without water)26,1282
Polymers26,1041
Non-polymers241
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
5
E: Protein Rep68
hetero molecules


Theoretical massNumber of molelcules
Total (without water)26,1282
Polymers26,1041
Non-polymers241
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
6
F: Protein Rep68
hetero molecules


Theoretical massNumber of molelcules
Total (without water)26,1282
Polymers26,1041
Non-polymers241
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
7
G: Protein Rep68
hetero molecules


Theoretical massNumber of molelcules
Total (without water)26,1282
Polymers26,1041
Non-polymers241
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
8
H: Protein Rep68
hetero molecules


Theoretical massNumber of molelcules
Total (without water)26,1282
Polymers26,1041
Non-polymers241
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
9
I: Protein Rep68
hetero molecules


Theoretical massNumber of molelcules
Total (without water)26,1282
Polymers26,1041
Non-polymers241
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
10
J: Protein Rep68
hetero molecules


Theoretical massNumber of molelcules
Total (without water)26,1282
Polymers26,1041
Non-polymers241
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
11
K: Protein Rep68
hetero molecules


Theoretical massNumber of molelcules
Total (without water)26,1282
Polymers26,1041
Non-polymers241
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)75.644, 178.706, 130.358
Angle α, β, γ (deg.)90.000, 91.660, 90.000
Int Tables number4
Space group name H-MP1211

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Components

#1: Protein
Protein Rep68


Mass: 26103.561 Da / Num. of mol.: 11 / Fragment: origin binding domain (UNP residues 1-224) / Mutation: C151S
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Adeno-associated virus 2 / Gene: Rep68 / Plasmid: pET15b / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) pLysS / References: UniProt: P03132, DNA helicase
#2: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 11 / Source method: obtained synthetically / Formula: Mg
#3: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 173 / 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: 3.06 Å3/Da / Density % sol: 59.79 %
Crystal growTemperature: 277 K / Method: vapor diffusion, hanging drop
Details: 50 mM sodium cacodylate, pH 6.0, 90 mM potassium chloride, 20 mM magnesium chloride, 14-17% isopropanol
PH range: 6

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Data collection

DiffractionMean temperature: 110 K
Diffraction sourceSource: ROTATING ANODE / Type: RIGAKU MICROMAX-007 / Wavelength: 1.54 Å
DetectorType: RIGAKU RAXIS IV++ / Detector: IMAGE PLATE / Date: Nov 2, 2014
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.54 Å / Relative weight: 1
ReflectionResolution: 2.6→29.81 Å / Num. obs: 105074 / % possible obs: 99.1 % / Redundancy: 3.82 % / Biso Wilson estimate: 44.16 Å2 / Rmerge(I) obs: 0.075 / Χ2: 0.94 / Net I/σ(I): 12 / Scaling rejects: 24497
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsMean I/σ(I) obsNum. measured allNum. unique allΧ2Rejects% possible all
2.6-2.693.890.3114.141772104370.96120998.9
2.69-2.83.870.2674.741941104700.97140499
2.8-2.933.860.2185.641911104540.96154599.1
2.93-3.083.870.1756.642264104980.95165899.3
3.08-3.283.860.1288.442680105720.93192099.6
3.28-3.533.840.09411.242580105330.93211199.7
3.53-3.883.810.07214.642950105810.95265699.8
3.88-4.443.830.05318.843234106010.91259799.8
4.44-5.593.80.0452243325105810.91316399.7
5.59-29.813.590.03825.643373103470.92623496.4

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Processing

Software
NameVersionClassification
PHENIXrefinement
d*TREKdata scaling
PDB_EXTRACT3.15data extraction
d*TREKdata reduction
PHENIXphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB entry 4ZO0

4zo0


Resolution: 2.6→29.814 Å / SU ML: 0.34 / Cross valid method: FREE R-VALUE / σ(F): 1.38 / Phase error: 23.91 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2375 5233 4.98 %
Rwork0.1905 99774 -
obs0.1928 105007 99.07 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 529.84 Å2 / Biso mean: 59.2862 Å2 / Biso min: 14.7 Å2
Refinement stepCycle: final / Resolution: 2.6→29.814 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms17442 0 11 173 17626
Biso mean--84.79 46.74 -
Num. residues----2169
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00317956
X-RAY DIFFRACTIONf_angle_d0.78124454
X-RAY DIFFRACTIONf_chiral_restr0.0282709
X-RAY DIFFRACTIONf_plane_restr0.0043128
X-RAY DIFFRACTIONf_dihedral_angle_d14.9226551
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 30

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.6-2.62950.29211890.25353285347499
2.6295-2.66040.30141840.26013286347099
2.6604-2.69290.30661640.26513327349199
2.6929-2.72690.31611690.25973323349299
2.7269-2.76280.3061700.24163288345899
2.7628-2.80060.30611590.23953362352199
2.8006-2.84060.27361780.23443276345499
2.8406-2.8830.29211590.22753346350599
2.883-2.9280.30571820.22873312349499
2.928-2.97590.26151870.2333323351099
2.9759-3.02720.2941620.24443394355699
3.0272-3.08220.27211780.24123252343099
3.0822-3.14140.30641770.239633533530100
3.1414-3.20550.30051920.235933083500100
3.2055-3.27510.30371900.223533523542100
3.2751-3.35120.27531940.21732883482100
3.3512-3.43480.28661690.219533963565100
3.4348-3.52760.24881750.219433113486100
3.5276-3.63120.25961640.215733933557100
3.6312-3.74820.24461490.194333633512100
3.7482-3.88190.24341790.178233333512100
3.8819-4.0370.21851770.168233633540100
4.037-4.22020.22621770.164633563533100
4.2202-4.4420.19011840.146633443528100
4.442-4.71930.1721790.138933523531100
4.7193-5.0820.17711600.139233703530100
5.082-5.59040.20241740.159433463520100
5.5904-6.39240.20941740.181233773551100
6.3924-8.02770.1931600.166733873547100
8.0277-29.81590.16861780.1363008318688
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)
15.84772.1095-4.01473.1415-2.47428.1918-0.3070.0842-0.3984-0.12220.0855-0.11220.3935-0.16420.20380.2214-0.0439-0.03450.2175-0.00780.323416.413310.330792.9002
27.10252.76963.13468.2032.43157.98040.426-0.35910.36720.4002-0.2953-0.0056-0.55220.1089-0.03480.2654-0.03340.06420.37050.00350.371520.237726.834198.9148
35.03483.4353-1.77394.732-1.12973.4853-0.0414-0.0815-0.0349-0.08570.08570.28250.3704-0.3267-0.08320.28870.00480.0140.35930.03790.28827.46479.009198.3089
42.10820.2882-0.12673.57791.00682.63290.0182-0.4833-0.40890.2656-0.09740.0330.33040.0370.04760.3234-0.01540.0250.33810.07040.344114.07389.3906104.3631
50.57240.8738-0.06551.9078-0.26322.45890.1684-0.31430.19510.6259-0.08830.3111-0.3283-0.2682-0.0850.4553-0.0180.0810.5014-0.03480.37569.784620.6696120.1335
60.9866-1.4655-1.69713.38593.5673.8054-0.81230.8671-0.62410.91650.00860.25442.4869-0.52570.511.5518-0.2523-0.07831.43510.07770.6203-0.44546.3281137.9918
73.5353-0.2313-1.55572.8091.46622.3104-0.03150.4289-0.1976-0.17590.0463-0.01690.0137-0.2927-0.02660.3908-0.0483-0.03920.4282-0.0270.2115-22.146513.238527.7322
82.29830.3593-0.58452.36271.17433.78280.08240.11510.14330.0045-0.05210.0939-0.1768-0.0824-0.01970.3141-0.0148-0.00390.269-0.01780.256-23.804918.629237.8726
96.8363-1.1619-4.08680.14190.82353.37620.1965-0.58590.54140.23160.3223-0.13050.00560.2847-0.07410.3967-0.12570.01930.4603-0.08810.4601-46.770711.077750.2867
101.08640.7079-0.34853.18641.25792.4608-0.2819-0.0404-0.61330.3907-0.02570.40250.51060.26910.34860.40680.08530.08460.33090.06070.636510.4491-12.056859.1741
113.5598-2.2589-1.41697.5371.14292.5374-0.2387-0.1799-0.5158-0.07030.0380.32660.33080.08470.17810.2695-0.00020.00590.24240.01980.35457.1052-1.376559.2124
124.60283.1117-0.33573.35361.77073.5298-0.5910.0658-0.38791.03010.73560.76910.3886-0.3035-0.12250.34380.04010.06590.40920.0230.46972.6072.822970.9084
138.55053.0559-3.3536.4649-3.80496.3301-0.0074-0.745-0.9171.0345-0.15840.08250.82250.71340.2270.46270.10540.10870.41530.10140.49538.7797-7.119971.2863
144.0313-0.7987-1.7142.69882.71294.4352-0.0970.0778-0.1499-0.1180.1517-0.0388-0.33220.4142-0.06020.2711-0.0082-0.04620.22330.05680.296315.62162.756453.943
153.10532.7707-0.68988.5314-1.60888.7501-0.12011.16460.8047-0.42940.32330.2132-1.1638-0.5134-0.16270.34360.04350.07310.44120.05870.530922.25767.992441.4535
164.31443.05860.30435.91250.53073.0599-0.05770.1113-0.0227-0.0583-0.14490.4646-0.16120.04580.3170.16030.0151-0.05130.3275-0.01940.24718.133726.895779.512
170.8817-0.81080.98374.5713-3.71475.45870.06130.1476-0.3855-0.45880.16860.5740.2503-0.241-0.25450.3035-0.0175-0.02980.2567-0.03960.4056-1.401624.643865.9262
184.3409-2.0835-1.71197.68631.87724.4893-0.0731-0.20210.11130.0578-0.11430.4985-0.3241-0.2120.23570.2358-0.0012-0.02620.2632-0.03760.29861.918633.324578.6213
196.2769-3.6498-4.35193.30724.58977.76980.0085-0.22880.49220.31610.0267-0.2959-0.73210.5669-0.29330.4285-0.0268-0.03420.23160.02650.32396.764138.660481.6683
207.04053.2588-1.34692.67881.25825.6826-0.4377-0.29070.20061.13120.22841.2882-0.0713-0.15240.24720.47370.10760.0620.42860.04710.38764.423330.861391.572
211.737-0.55850.70652.3251-0.94591.7078-0.07670.04110.2870.1364-0.1146-0.0176-0.29410.16410.1880.3073-0.0083-0.02530.3214-0.01670.36288.126336.143175.1766
225.2065.0582-0.47274.4705-0.82851.45140.5047-0.19381.08360.9782-0.54860.4948-0.35310.16060.16450.7343-0.05230.00210.48620.10290.665613.669555.727265.424
234.335-2.0098-2.03149.09544.18885.3924-0.14110.4494-0.1451-0.8910.3992-0.5027-0.0819-0.0916-0.28230.4319-0.18720.01640.29320.01110.3671-17.868942.633756.1199
248.42884.1963-5.40169.5058-4.85244.2895-0.5513-0.102-0.3116-0.00630.25180.29250.57650.03410.27490.5708-0.08920.04720.3904-0.00830.3435-24.495329.610167.0406
252.63881.263-0.54326.69021.5383.769-0.2670.27340.0072-0.43050.3636-0.18660.078-0.164-0.06810.3462-0.0102-0.02310.2446-0.00540.3461-16.840749.440362.5453
265.23220.6309-1.13066.2328-1.35364.5424-0.0818-0.37010.15390.51140.18980.88940.0006-0.6526-0.02330.3969-0.0180.05630.4238-0.06370.3716-30.801246.791773.3538
275.41131.5125-0.62823.0854-0.98270.1831-0.43960.4133-1.147-0.4190.2443-0.51130.20540.08560.05720.4045-0.0320.13330.4372-0.11480.5105-20.220313.672279.8011
287.6595-4.0001-3.8986.54251.14584.1173-0.13450.8369-0.1364-0.466-0.0192-0.09380.0555-0.1742-0.10770.2501-0.0578-0.02150.3968-0.00310.2279-29.699618.928478.541
296.7127-1.9106-1.69911.77760.13324.3435-0.2654-0.5056-0.5378-0.07580.52010.11450.01920.0796-0.07680.3276-0.05790.04580.32350.05670.3348-28.119917.858686.8883
307.14260.0106-2.30932.3813-0.02090.9172-0.3636-0.004-0.9928-0.18280.2113-0.21250.14770.11920.14790.2887-0.00480.07690.3980.01770.4172-35.355613.039185.3557
314.4319-1.89940.21725.9972-1.23625.7018-0.2331-1.05070.19820.49430.1814-0.6183-0.34890.56560.12710.2798-0.07830.00270.5869-0.03970.3125-20.116922.867594.4864
322.71682.7737-0.50793.58740.20912.27910.40.08180.4370.5151-0.174-0.0165-1.1024-0.0512-0.24230.88740.04590.04260.35680.02690.543916.822940.056418.9114
333.6860.7934-1.14676.5444-1.20643.4370.1432-0.22650.11170.38080.00750.0113-0.6458-0.2729-0.13510.420.03710.02880.40390.01290.248911.983627.474323.0209
342.67020.77210.58643.03650.38838.67650.15730.4490.0965-0.29580.1072-0.3331-0.16130.5197-0.33620.3812-0.05240.08950.44390.03750.395822.378724.74585.3293
353.4745-0.3282-0.58763.64380.36828.7033-0.0782-0.6904-0.20520.931-0.2750.6355-0.9623-0.5920.44170.87090.00330.02470.4618-0.00770.6579-28.2318-13.882390.1894
362.83913.83711.46665.26552.20219.43510.304-0.52980.41880.5154-0.68390.0060.2398-0.47090.25070.8452-0.0427-0.02710.62950.02950.8074-30.5305-32.454693.1482
373.12780.27821.59347.54540.10573.8420.0099-0.25930.10580.4221-0.11471.1491-0.5143-0.49690.11870.53260.09080.0710.4676-0.07910.7383-34.4764-15.160780.5922
381.8434-0.38280.60889.01023.55867.4902-0.1102-0.00280.18980.3853-0.33550.641-0.50870.03070.38260.5743-0.019-0.04120.3644-0.02510.6328-27.2173-14.554277.6832
392.0982-1.8886-2.55652.79793.06415.560.06140.2534-0.2439-0.0988-0.27810.4090.1264-0.60770.1650.61130.0317-0.06360.4598-0.04650.7468-28.0709-34.266372.3505
403.3892.5641-2.62695.0601-4.14377.7119-0.5053-0.4606-0.2945-0.4779-0.0647-0.53240.57390.49820.44350.5839-0.03720.09010.42080.14060.5862-7.4762-18.2095108.9522
414.8436-0.2351-5.31314.63190.05118.60120.08610.21010.56560.4439-0.06820.1213-0.0588-0.7314-0.18650.5951-0.2201-0.09160.48420.00390.692-12.7768-2.4725110.203
424.39673.2682-0.96999.121-0.96173.97470.046-0.17780.09240.2978-0.17310.38350.24950.1160.09910.5008-0.07560.08210.3764-0.02330.3783-15.991-19.3323111.7638
435.47972.7827-2.0824.9694-3.19885.8316-0.73720.6594-0.7197-1.12570.3795-1.04911.0893-0.22080.21740.6968-0.06550.14020.3403-0.05480.4741-12.8942-29.1764103.4017
446.69224.9909-2.15519.7848-5.12398.5911-0.30780.2058-0.6676-0.8640.53080.33840.66920.75940.16730.54440.06060.12440.46970.1030.5567-4.3541-18.9105102.2912
453.6984-0.77091.23773.37191.66713.8355-0.1638-1.2269-0.13861.0727-0.1130.31220.2191-0.23860.28760.8426-0.13460.15190.7146-0.00060.4914-16.2465-17.2269124.7436
465.30720.19280.32827.7154-0.69213.36830.23560.1604-0.29880.0569-0.38270.6770.30590.19970.30420.4183-0.03860.06010.4126-0.06670.316-4.21434.423428.4275
472.0541-2.2027-0.70239.2644-3.26654.3962-0.6183-0.85180.1460.8907-0.5522-0.4376-0.44830.76430.42420.508-0.1572-0.07980.66240.11670.42876.163512.311736.8246
486.0786-1.1291-0.54998.14160.92354.37770.40320.8254-0.5906-0.3123-0.6339-1.44640.45881.02110.31680.52760.12060.15040.79930.20271.000415.2719-1.731227.2265
495.21643.197-1.18033.728-2.81833.267-0.4663-0.6641-1.1029-0.2064-0.2746-0.65190.86670.21690.75320.43970.01770.10770.47710.08010.6071-1.2826-3.164336.8653
506.1894-0.92260.81644.8561.02210.570.26450.2146-1.17070.069-0.6125-0.58060.53390.18480.17160.5454-0.03820.12690.4062-0.08850.6374-0.8983-7.290129.1998
516.62141.92910.34676.5806-0.81152.2271-0.15760.4811-1.7333-0.57740.11790.25450.7444-0.26360.02780.63460.0180.04880.3078-0.03140.7537-5.9338-9.506330.131
527.31715.52723.73214.54854.1445.38270.6934-0.5823-0.08391.1763-0.47520.8640.4502-0.7372-0.23990.4835-0.04320.12060.50090.08830.5704-13.4373-1.81437.7285
533.901-0.6112-0.36444.8531-0.1673.7687-0.06620.1839-1.0945-0.6278-0.1972-0.18060.8571-0.07560.2290.5725-0.02010.05810.39-0.10940.6023-8.5854-4.986626.354
543.69351.11840.48154.19061.95334.3705-0.15640.6602-1.2212-0.3348-0.0386-0.48540.33040.51510.10710.85420.21840.32990.6579-0.0070.97476.4118-6.895922.5785
552.5727-2.50780.91974.3511.43783.18540.62570.3893-1.1161-0.4872-0.424-0.30561.5871.32340.20791.15610.31620.26440.40960.21891.76357.7792-15.592228.8306
560.24050.24480.14620.8471-0.32670.48990.16270.2904-0.7761-0.4776-0.2907-0.60361.33020.4364-0.01511.48590.42960.88090.5685-0.37041.66179.7233-19.430519.1481
572.2903-0.4989-1.46292.5045-3.19057.63920.0757-0.0113-0.1157-0.4979-0.2314-0.33640.17960.2839-0.13790.75580.09650.01930.98140.00040.4103-23.248719.3115121.515
582.37570.4247-0.80143.3619-2.07726.1272-0.04170.7886-1.2454-0.9747-0.02770.3412.5229-1.304-0.55631.4915-0.4097-0.38291.495-0.11870.6663-33.15268.2151110.3139
591.02140.1661-0.83185.4066-3.78499.3606-0.06760.47480.0778-1.19880.170.0620.95-0.308-0.130.70260.0046-0.01111.0165-0.1380.3495-25.518411.0981126.4557
600.8269-0.62520.83152.941-2.89395.99550.08310.79950.2482-0.2908-0.16450.0193-0.3450.17910.09820.57680.04450.00420.9608-0.01870.3503-22.5817.8997132.1598
611.2992-0.65240.22162.5067-2.23443.6869-0.17491.2326-0.0224-0.83240.77281.08970.7059-2.1773-0.30590.7754-0.327-0.15441.79680.03830.5256-36.661610.0065127.927
622.76010.69212.32133.91372.36782.8425-0.1870.6648-0.61690.5399-0.30671.23231.1404-1.1442-0.25471.3999-1.1653-0.94442.27890.31781.1963-47.48982.1749124.7678
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 0 through 32 )A0
2X-RAY DIFFRACTION2chain 'A' and (resid 33 through 49 )A0
3X-RAY DIFFRACTION3chain 'A' and (resid 50 through 120 )A0
4X-RAY DIFFRACTION4chain 'A' and (resid 121 through 170 )A0
5X-RAY DIFFRACTION5chain 'A' and (resid 171 through 205 )A0
6X-RAY DIFFRACTION6chain 'A' and (resid 206 through 214 )A0
7X-RAY DIFFRACTION7chain 'B' and (resid 0 through 49 )B0
8X-RAY DIFFRACTION8chain 'B' and (resid 50 through 181 )B0
9X-RAY DIFFRACTION9chain 'B' and (resid 182 through 209 )B0
10X-RAY DIFFRACTION10chain 'C' and (resid 1 through 49 )C0
11X-RAY DIFFRACTION11chain 'C' and (resid 50 through 101 )C0
12X-RAY DIFFRACTION12chain 'C' and (resid 102 through 119 )C0
13X-RAY DIFFRACTION13chain 'C' and (resid 120 through 134 )C0
14X-RAY DIFFRACTION14chain 'C' and (resid 135 through 181 )C0
15X-RAY DIFFRACTION15chain 'C' and (resid 182 through 202 )C0
16X-RAY DIFFRACTION16chain 'D' and (resid 1 through 23 )D0
17X-RAY DIFFRACTION17chain 'D' and (resid 24 through 49 )D0
18X-RAY DIFFRACTION18chain 'D' and (resid 50 through 88 )D0
19X-RAY DIFFRACTION19chain 'D' and (resid 89 through 101 )D0
20X-RAY DIFFRACTION20chain 'D' and (resid 102 through 119 )D0
21X-RAY DIFFRACTION21chain 'D' and (resid 120 through 181 )D0
22X-RAY DIFFRACTION22chain 'D' and (resid 182 through 208 )D0
23X-RAY DIFFRACTION23chain 'E' and (resid 1 through 32 )E0
24X-RAY DIFFRACTION24chain 'E' and (resid 33 through 49 )E0
25X-RAY DIFFRACTION25chain 'E' and (resid 50 through 131 )E0
26X-RAY DIFFRACTION26chain 'E' and (resid 132 through 200 )E0
27X-RAY DIFFRACTION27chain 'F' and (resid 1 through 49 )F0
28X-RAY DIFFRACTION28chain 'F' and (resid 50 through 71 )F0
29X-RAY DIFFRACTION29chain 'F' and (resid 72 through 88 )F0
30X-RAY DIFFRACTION30chain 'F' and (resid 89 through 156 )F0
31X-RAY DIFFRACTION31chain 'F' and (resid 157 through 193 )F0
32X-RAY DIFFRACTION32chain 'G' and (resid 1 through 49 )G0
33X-RAY DIFFRACTION33chain 'G' and (resid 50 through 149 )G0
34X-RAY DIFFRACTION34chain 'G' and (resid 150 through 203 )G0
35X-RAY DIFFRACTION35chain 'H' and (resid 1 through 32 )H0
36X-RAY DIFFRACTION36chain 'H' and (resid 33 through 49 )H0
37X-RAY DIFFRACTION37chain 'H' and (resid 50 through 119 )H0
38X-RAY DIFFRACTION38chain 'H' and (resid 120 through 156 )H0
39X-RAY DIFFRACTION39chain 'H' and (resid 157 through 207 )H0
40X-RAY DIFFRACTION40chain 'I' and (resid 1 through 23 )I0
41X-RAY DIFFRACTION41chain 'I' and (resid 24 through 49 )I0
42X-RAY DIFFRACTION42chain 'I' and (resid 50 through 101 )I0
43X-RAY DIFFRACTION43chain 'I' and (resid 102 through 119 )I0
44X-RAY DIFFRACTION44chain 'I' and (resid 120 through 131 )I0
45X-RAY DIFFRACTION45chain 'I' and (resid 132 through 195 )I0
46X-RAY DIFFRACTION46chain 'J' and (resid 3 through 23 )J0
47X-RAY DIFFRACTION47chain 'J' and (resid 24 through 32 )J0
48X-RAY DIFFRACTION48chain 'J' and (resid 33 through 49 )J0
49X-RAY DIFFRACTION49chain 'J' and (resid 50 through 71 )J0
50X-RAY DIFFRACTION50chain 'J' and (resid 72 through 88 )J0
51X-RAY DIFFRACTION51chain 'J' and (resid 89 through 101 )J0
52X-RAY DIFFRACTION52chain 'J' and (resid 102 through 119 )J0
53X-RAY DIFFRACTION53chain 'J' and (resid 120 through 156 )J0
54X-RAY DIFFRACTION54chain 'J' and (resid 157 through 170 )J0
55X-RAY DIFFRACTION55chain 'J' and (resid 171 through 181 )J0
56X-RAY DIFFRACTION56chain 'J' and (resid 182 through 192 )J0
57X-RAY DIFFRACTION57chain 'K' and (resid 1 through 32 )K0
58X-RAY DIFFRACTION58chain 'K' and (resid 33 through 49 )K0
59X-RAY DIFFRACTION59chain 'K' and (resid 50 through 88 )K0
60X-RAY DIFFRACTION60chain 'K' and (resid 89 through 131 )K0
61X-RAY DIFFRACTION61chain 'K' and (resid 132 through 181 )K0
62X-RAY DIFFRACTION62chain 'K' and (resid 182 through 195 )K0

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