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- PDB-5tbk: Crystal structure of human importin a3 bound to RCC1 -

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Basic information

Entry
Database: PDB / ID: 5tbk
TitleCrystal structure of human importin a3 bound to RCC1
Components
  • Importin subunit alpha-3
  • Regulator of chromosome condensation
KeywordsPROTEIN TRANSPORT / NUCLEAR PROTEIN / Nuclear Import / Importin alpha / RCC1 like Domain (RLD) / NLS / PROTEIN TRANSPORT - NUCLEAR PROTEIN complex
Function / homology
Function and homology information


dopamine secretion / sulfate binding / mitotic nuclear membrane reassembly / NS1 Mediated Effects on Host Pathways / NLS-dependent protein nuclear import complex / NLS-bearing protein import into nucleus / nuclear localization sequence binding / Rev-mediated nuclear export of HIV RNA / regulation of mitotic spindle assembly / Nuclear import of Rev protein ...dopamine secretion / sulfate binding / mitotic nuclear membrane reassembly / NS1 Mediated Effects on Host Pathways / NLS-dependent protein nuclear import complex / NLS-bearing protein import into nucleus / nuclear localization sequence binding / Rev-mediated nuclear export of HIV RNA / regulation of mitotic spindle assembly / Nuclear import of Rev protein / Postmitotic nuclear pore complex (NPC) reformation / nuclear import signal receptor activity / nucleosomal DNA binding / regulation of mitotic nuclear division / viral process / nuclear pore / nucleosome binding / spindle assembly / regulation of mitotic cell cycle / guanyl-nucleotide exchange factor activity / condensed nuclear chromosome / mitotic spindle organization / male germ cell nucleus / chromosome segregation / response to hydrogen peroxide / G1/S transition of mitotic cell cycle / small GTPase binding / ISG15 antiviral mechanism / protein import into nucleus / chromosome / histone binding / nuclear membrane / gene expression / protein heterodimerization activity / cell division / chromatin binding / chromatin / protein-containing complex / nucleoplasm / nucleus / cytosol / cytoplasm
Similarity search - Function
Regulator of chromosome condensation (RCC1) signature 1. / : / Regulator of chromosome condensation 1/beta-lactamase-inhibitor protein II / RCC1-like domain / Regulator of chromosome condensation (RCC1) repeat / Regulator of chromosome condensation (RCC1) signature 2. / Regulator of chromosome condensation, RCC1 / Regulator of chromosome condensation (RCC1) repeat profile. / Regulator of chromosome condensation 1/beta-lactamase-inhibitor protein II / Importin subunit alpha ...Regulator of chromosome condensation (RCC1) signature 1. / : / Regulator of chromosome condensation 1/beta-lactamase-inhibitor protein II / RCC1-like domain / Regulator of chromosome condensation (RCC1) repeat / Regulator of chromosome condensation (RCC1) signature 2. / Regulator of chromosome condensation, RCC1 / Regulator of chromosome condensation (RCC1) repeat profile. / Regulator of chromosome condensation 1/beta-lactamase-inhibitor protein II / Importin subunit alpha / Atypical Arm repeat / Importin-alpha, importin-beta-binding domain superfamily / Importin beta binding domain / Atypical Arm repeat / Importin-alpha, importin-beta-binding domain / IBB domain profile. / Armadillo/plakoglobin ARM repeat profile. / Armadillo/beta-catenin-like repeat / Armadillo/beta-catenin-like repeats / Armadillo / Leucine-rich Repeat Variant / Leucine-rich Repeat Variant / 7 Propeller / Methylamine Dehydrogenase; Chain H / Armadillo-like helical / Alpha Horseshoe / Armadillo-type fold / Mainly Beta / Mainly Alpha
Similarity search - Domain/homology
Importin subunit alpha-3 / Regulator of chromosome condensation
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.45 Å
AuthorsSankhala, R.S. / Lokareddy, R.K. / Pumroy, R.A. / Cingolani, G.
Funding support United States, 2items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM074846 United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM100888 United States
CitationJournal: Nat Commun / Year: 2017
Title: Three-dimensional context rather than NLS amino acid sequence determines importin alpha subtype specificity for RCC1.
Authors: Sankhala, R.S. / Lokareddy, R.K. / Begum, S. / Pumroy, R.A. / Gillilan, R.E. / Cingolani, G.
History
DepositionSep 12, 2016Deposition site: RCSB / Processing site: RCSB
Revision 1.0Sep 13, 2017Provider: repository / Type: Initial release
Revision 1.1Oct 4, 2017Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.2Nov 1, 2017Group: Author supporting evidence / Database references
Category: citation / citation_author / pdbx_struct_assembly_auth_evidence
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.3Dec 25, 2019Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.4Oct 4, 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

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Importin subunit alpha-3
B: Importin subunit alpha-3
C: Importin subunit alpha-3
D: Importin subunit alpha-3
E: Importin subunit alpha-3
F: Importin subunit alpha-3
G: Importin subunit alpha-3
H: Importin subunit alpha-3
I: Regulator of chromosome condensation
K: Regulator of chromosome condensation
L: Regulator of chromosome condensation
M: Regulator of chromosome condensation
N: Regulator of chromosome condensation
O: Regulator of chromosome condensation
P: Regulator of chromosome condensation
J: Regulator of chromosome condensation


Theoretical massNumber of molelcules
Total (without water)823,73116
Polymers823,73116
Non-polymers00
Water00
1
A: Importin subunit alpha-3
K: Regulator of chromosome condensation


Theoretical massNumber of molelcules
Total (without water)102,9662
Polymers102,9662
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3960 Å2
ΔGint-1 kcal/mol
Surface area35190 Å2
MethodPISA
2
B: Importin subunit alpha-3
I: Regulator of chromosome condensation


Theoretical massNumber of molelcules
Total (without water)102,9662
Polymers102,9662
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3690 Å2
ΔGint-2 kcal/mol
Surface area34850 Å2
MethodPISA
3
C: Importin subunit alpha-3
J: Regulator of chromosome condensation


Theoretical massNumber of molelcules
Total (without water)102,9662
Polymers102,9662
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3780 Å2
ΔGint-1 kcal/mol
Surface area34890 Å2
MethodPISA
4
D: Importin subunit alpha-3
P: Regulator of chromosome condensation


Theoretical massNumber of molelcules
Total (without water)102,9662
Polymers102,9662
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3790 Å2
ΔGint-2 kcal/mol
Surface area35020 Å2
MethodPISA
5
E: Importin subunit alpha-3
L: Regulator of chromosome condensation


Theoretical massNumber of molelcules
Total (without water)102,9662
Polymers102,9662
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3910 Å2
ΔGint-3 kcal/mol
Surface area34580 Å2
MethodPISA
6
F: Importin subunit alpha-3
M: Regulator of chromosome condensation


Theoretical massNumber of molelcules
Total (without water)102,9662
Polymers102,9662
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3630 Å2
ΔGint-3 kcal/mol
Surface area34970 Å2
MethodPISA
7
G: Importin subunit alpha-3
N: Regulator of chromosome condensation


Theoretical massNumber of molelcules
Total (without water)102,9662
Polymers102,9662
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3410 Å2
ΔGint-3 kcal/mol
Surface area35420 Å2
MethodPISA
8
H: Importin subunit alpha-3
O: Regulator of chromosome condensation


Theoretical massNumber of molelcules
Total (without water)102,9662
Polymers102,9662
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3830 Å2
ΔGint-4 kcal/mol
Surface area35020 Å2
MethodPISA
Unit cell
Length a, b, c (Å)127.403, 162.494, 161.592
Angle α, β, γ (deg.)75.65, 85.63, 72.17
Int Tables number1
Space group name H-MP1
DetailsDetermined by size exclusion chromatography and small angle x-ray scattering

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Components

#1: Protein
Importin subunit alpha-3 / Importin alpha Q1 / Qip1 / Karyopherin subunit alpha-4


Mass: 57941.387 Da / Num. of mol.: 8
Source method: isolated from a genetically manipulated source
Details: Functions in nuclear protein import as an adapter protein
Source: (gene. exp.) Homo sapiens (human) / Gene: KPNA4, QIP1 / Plasmid: pET28a / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: O00629
#2: Protein
Regulator of chromosome condensation / Cell cycle regulatory protein / Chromosome condensation protein 1


Mass: 45024.949 Da / Num. of mol.: 8
Source method: isolated from a genetically manipulated source
Details: Guanine-nucleotide releasing factor that promotes the exchange of Ran-bound GDP by GTP.
Source: (gene. exp.) Homo sapiens (human) / Gene: RCC1, CHC1 / Plasmid: pGEX-6P-1 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: P18754

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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: 3.94 Å3/Da / Density % sol: 68.82 %
Crystal growTemperature: 298 K / Method: vapor diffusion, hanging drop / pH: 6.5
Details: 0.1 M sodium cacodylate buffer (pH 6.5), 0.2M Calcium acetate, 8% PEG 8000 and galactose 3%

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 21-ID-F / Wavelength: 0.97 Å
DetectorType: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Oct 18, 2015
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97 Å / Relative weight: 1
ReflectionResolution: 3.45→50 Å / Num. obs: 935054 / % possible obs: 90.4 % / Observed criterion σ(F): 2.5 / Redundancy: 2 % / Biso Wilson estimate: 85.62 Å2 / Rsym value: 0.13 / Net I/σ(I): 12.2
Reflection shellResolution: 3.45→3.53 Å / Redundancy: 1.6 % / Rmerge(I) obs: 0.65 / Mean I/σ(I) obs: 1.8 / % possible all: 71.5

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Processing

Software
NameVersionClassification
PHENIX1.10.1-2155refinement
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4UAE and 1A12

4uae

1a12


Resolution: 3.45→19.988 Å / SU ML: 0.6 / Cross valid method: FREE R-VALUE / σ(F): 2.5 / Phase error: 34.98
RfactorNum. reflection% reflection
Rfree0.296 1638 1.39 %
Rwork0.2782 --
obs0.2784 118199 75.5 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso mean: 129.8 Å2
Refinement stepCycle: LAST / Resolution: 3.45→19.988 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms50677 0 0 0 50677
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00551624
X-RAY DIFFRACTIONf_angle_d0.68470117
X-RAY DIFFRACTIONf_dihedral_angle_d5.84931070
X-RAY DIFFRACTIONf_chiral_restr0.0468087
X-RAY DIFFRACTIONf_plane_restr0.0059187
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.45-3.5510.4327710.41045545X-RAY DIFFRACTION43
3.551-3.66490.4343970.39976991X-RAY DIFFRACTION54
3.6649-3.79510.38531160.38357726X-RAY DIFFRACTION60
3.7951-3.94590.34671190.37188359X-RAY DIFFRACTION65
3.9459-4.1240.35651300.33569222X-RAY DIFFRACTION72
4.124-4.33930.32371400.3059966X-RAY DIFFRACTION78
4.3393-4.60810.29551490.284310664X-RAY DIFFRACTION83
4.6081-4.95880.2761530.266811037X-RAY DIFFRACTION86
4.9588-5.44870.28811570.266311324X-RAY DIFFRACTION88
5.4487-6.21630.29741620.286711530X-RAY DIFFRACTION90
6.2163-7.7550.31221710.273911943X-RAY DIFFRACTION93
7.755-19.98810.22221730.199612254X-RAY DIFFRACTION95
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)
11.03-0.09280.15092.4394-0.03861.5384-0.10910.8638-0.4291-0.0562-0.1597-0.9791-0.51910.898-0.0530.0796-0.06520.02450.9587-0.19380.8244279.81744.5669187.1655
21.3920.55530.19880.6630.02780.707-0.40450.7382-0.4735-0.5358-0.02390.6470.24340.2434-0.1202-1.2103-1.2494-1.0609-0.3828-0.68710.3009245.945845.6786198.1402
35.7849-0.33530.17472.5842-0.09722.9885-0.5917-1.90290.00490.49440.33280.8656-0.0629-0.29050.03190.3522-0.1095-0.02160.57690.19690.174240.817346.3829218.6587
40.923-1.0592-0.09781.21250.17240.48030.49191.4216-0.3331-0.7529-0.22490.82320.225-0.5947-0.18290.63590.2749-0.05442.75651.06712.4604216.90388.6778179.2885
53.990.46450.44597.0876-1.81273.9002-1.0653-0.48610.20750.3110.73421.82171.1190.5075-0.14691.63420.7150.58031.50371.01271.6908221.328683.8931187.3083
68.12520.1637-3.27279.5886-6.22625.71351.2603-0.59890.5969-0.323-0.30251.80711.0580.3464-0.77791.1001-0.0553-0.0961.85030.61361.4912226.771183.1854176.4889
70.54560.5058-0.02470.69110.31851.216-0.336-0.398-0.4465-0.46080.49750.72520.3121-0.5906-0.06580.70850.4697-0.38221.64450.54881.7084230.719576.2783183.6161
83.1328-0.60550.77364.1968-0.36141.44940.01560.79730.5241-0.33330.29490.1448-0.1864-0.6667-0.26740.69820.1182-0.08431.04040.29550.6979246.888676.9064182.6156
90.74380.7505-0.02772.27310.35860.4236-0.06820.33990.5954-0.3306-0.4406-0.9202-0.570.880.1060.5255-0.326-0.19180.15650.70291.0209266.318480.7485191.4297
100.8601-0.97550.71155.15530.87671.87020.26420.31291.1687-0.63160.1519-0.5653-0.89840.722-0.55710.9329-0.5733-0.00310.9731-0.08241.3231277.467684.4571201.0681
116.0148-1.41090.22784.239-0.1951.3696-0.4448-0.39140.43470.16140.6086-1.2438-0.4780.8071-0.17680.8657-0.4392-0.23780.9881-0.08510.913275.753685.6637210.1312
129.1871-0.99794.18273.1688-0.42386.5890.83870.4541-1.3947-0.2632-0.78520.73770.9916-1.1742-0.20791.1927-0.2281-0.66760.79570.03010.7521273.520281.467217.3378
137.8244-1.92831.32155.87040.63426.2603-0.9779-1.02140.65050.52150.9009-0.39650.2487-0.8359-0.57091.499-0.5119-0.51041.43-0.04460.8422276.980185.7088225.0533
143.03161.52242.3722.0456-0.36133.793-0.08271.1423-0.843-0.28440.91490.62280.287-0.3579-0.75230.39040.0008-0.03631.31130.36792.3663185.787326.2014186.9464
152.50772.88043.63114.34586.07088.7883-0.51230.2422-0.1097-0.1030.26140.24-0.28240.4690.24760.85610.0098-0.14871.18430.3191.6127190.162119.2579190.4536
163.79670.95161.00573.86711.16782.37510.07920.7599-0.1571-1.17380.02910.366-0.32890.21720.2415-0.2023-0.1016-0.12241.12640.1431.4094202.612712.917185.7594
172.8611-0.57550.35492.5535-0.38192.83210.1460.4258-0.4523-0.6708-0.16820.30520.4025-0.4471-0.24270.2082-0.13510.04360.5251-0.04890.6028223.718310.8227188.0101
181.43310.99950.15460.8942-0.17890.6714-0.29810.08790.47340.17670.185-0.1997-0.8231-0.1833-0.1404-0.3899-0.41810.1684-0.0007-0.06191.0794242.06513.3484198.0852
192.7070.9534-0.41981.7057-0.53853.3078-0.1827-0.10260.3455-0.21270.16710.19350.4882-0.2405-0.14720.267-0.0353-0.12630.3196-0.00590.5604245.893412.7144212.7434
203.8421-0.6572-3.53322.65650.58453.1977-0.9595-2.701-0.48391.03040.7218-0.4562-0.22980.65930.1520.8463-0.0059-0.06741.2576-0.16020.9157251.280914.8672224.0147
214.5314-4.19530.83727.6889-0.16474.0933-1.4713-3.0869-1.03820.84981.0550.22951.5628-1.24870.23621.0281-0.14560.06641.36670.00730.6514246.32138.4235228.4075
222.56912.79732.95935.22572.60623.49590.01030.43180.7422-0.64290.655-2.1614-0.86930.8472-0.09231.11920.41380.36061.7675-0.3482.9781318.4345127.5868181.9738
235.3982-1.90281.1696.1484-2.2031.21390.75420.1925-0.4851-1.28010.028-1.6940.76070.7853-0.91590.7361-0.06740.00191.2802-0.64081.3289302.7339136.2982181.0503
241.4039-0.8593-0.73012.42190.12860.7256-0.15610.5253-0.68310.1460.2568-0.23170.93820.087-0.12140.76850.01110.09270.0777-1.19470.7109282.9471136.5705184.8065
250.1969-0.4433-0.21761.8703-0.41661.9257-0.21630.1861-0.0862-0.07240.56181.7434-0.0262-1.1575-0.25970.993-0.77790.16370.7761-0.13631.133265.4603129.7947203.2511
268.1203-1.16440.73226.4923-1.62492.0147-1.0845-1.04220.00131.09620.76270.92180.3477-0.4266-0.0091.6394-0.43580.47391.7710.31241.0388261.4326127.9948225.5467
271.43212.1762-0.63886.7435-2.59131.0551-0.2480.22340.6495-2.22440.65030.3705-0.48830.3531-0.35932.42440.4695-0.15931-0.33672.3969226.0469110.8398105.3768
284.82962.2714.21481.0742.19637.0266-0.26991.18291.6339-2.5089-1.70891.31790.06631.32061.91893.02690.5313-0.77361.82080.10361.8761218.7985107.3791109.6104
294.82823.3791-0.37665.60742.18461.7882-1.3036-0.45021.9313-1.03260.6437-0.0870.84570.13050.43711.89960.51260.1271.14450.13441.5193214.243899.739106.827
309.01362.4972-1.35483.152.64983.9215-0.39680.58640.9481-0.42630.0763-0.1894-0.9879-0.6220.51171.50610.42790.01390.86620.16990.9889209.439187.6812106.8314
313.19221.7929-1.35773.91092.95335.28950.11120.55250.6642-0.65-0.6189-0.4124-0.4078-0.5313-0.17091.05140.1510.17480.66440.42471.0285207.659275.6254107.0787
326.50820.6838-1.94217.5221-2.15697.68550.45010.6312-0.6372-0.5242-0.6039-0.94540.7933-0.35950.20260.63460.00680.04750.69830.08220.5668208.288863.7014115.8223
336.01730.01410.94121.01681.231.71110.06210.45870.13450.1402-0.6541-0.6393-0.00250.65250.0441.34660.2924-0.35460.8340.33820.9518209.183451.9718125.5471
342.69111.7935-0.62174.8404-0.38060.9898-0.6006-0.69020.1888-0.882-0.38820.3555-0.5361-0.13460.9061.05360.2301-0.27721.21210.09370.7167208.632154.2563136.5702
352.20590.81841.07663.71352.80872.25682.0761-1.0307-0.8827-0.2379-2.83941.2907-0.1566-0.10590.36011.4882-0.3152-0.33831.54980.14811.4132208.230152.1396149.709
363.65330.6524-0.95733.95971.12082.4644-0.02220.22250.7663-0.36450.1434-0.434-0.7785-0.8895-0.19471.30810.4180.11520.7981-0.04830.6625200.05353.518263.0053
372.00920.7410.28662.7805-0.08473.67840.1592-0.054-0.67170.5188-0.1699-0.77850.47040.05860.05070.94020.1195-0.01970.63250.17780.7335199.061513.2634280.1668
385.92.31160.34194.0799-3.01433.6424-0.3528-0.0583-1.2074-0.42370.23690.24550.7026-0.28970.4991.14210.5002-0.09350.9947-0.2021.1054298.431735.8053107.5822
391.09810.5780.0272.8099-0.10262.43890.02410.0050.5005-0.7532-0.42040.54130.33320.69660.14050.98120.2366-0.3030.9897-0.24940.6377305.636863.3307107.3087
402.2366-0.0123-0.07572.5681.69292.9660.6206-0.15490.9330.8854-0.6831.243-0.535-0.6490.43551.4636-0.07890.16570.6746-0.33871.4832300.286489.5979130.7324
414.56060.1698-2.90065.1606-3.47719.29070.19441.0076-2.3023-1.1966-0.71181.12952.1117-0.18610.31021.69110.3922-0.41841.1484-0.33882.3408282.1369-7.4018261.0487
425.6976-2.05320.93662.24030.38632.80820.20160.5094-1.4102-0.4572-0.31920.44960.72490.0876-0.71310.87240.1901-0.40991.24710.05340.3233292.912318.6932263.5446
437.5111-0.5252-1.53127.97292.93932.9111-0.15621.03980.8897-0.1251-0.08990.5369-0.739-0.9330.12920.73610.1053-0.06671.00840.06330.4901291.70640.4804277.3611
444.47960.5401-1.81133.09010.57296.36030.5769-1.2150.57821.1119-0.57250.2468-0.274-0.4539-0.05320.97290.09680.13471.2868-0.23220.7166292.26543.3214298.3365
450.131-0.0336-0.4450.95-0.39550.59170.2863-0.0209-0.23060.05960.3843-0.0191-1.1199-0.3835-0.00741.48580.2711-0.20631.07350.62111.1637245.421495.4046182.0283
465.6310.0973-2.00783.9953-3.55257.3452-0.2931-0.62280.90921.5795-0.0909-0.7438-1.62041.16840.52961.77040.1539-0.58091.23970.15411.3056245.2494108.0473175.9
473.41470.1124-4.55725.0838-3.00647.7568-1.3495-2.92931.11182.18440.73860.0308-2.77221.45970.65413.55180.374-0.31722.18330.2151.7458236.9492114.4678194.1435
484.91160.1448-1.37043.60920.24011.9940.2036-0.2760.98540.2504-0.15940.7985-0.6931-0.3122-0.13991.97910.6256-0.271.48040.09361.383226.4334120.4646174.0658
498.4006-6.8951-7.49497.52964.82637.9793-1.0321-0.2718-0.28340.56460.5078-0.32741.1046-1.2220.64330.721-0.26570.00251.0164-0.23150.8164263.085546.3201201.134
505.0254-0.1008-0.87912.25870.00212.16250.897-0.0388-1.26550.52630.1765-0.55161.21510.02510.2893-0.40120.40050.56781.2227-0.54180.6494274.356915.8445182.9022
510.9657-0.2515-0.04181.0472-0.07521.0256-0.2011-0.2311-1.1627-0.12390.0342-1.27220.53040.75140.11570.68260.39930.46151.7829-0.1121.9494290.13723.6063180.48
523.51831.2062-0.08380.3845-0.04620.02930.229-1.15590.2542-0.3043-0.8169-0.3542-0.15431.09450.37611.5506-0.27730.42841.16850.06521.0474226.796482.9144106.2395
534.9084-0.3989-4.57242.5051.50796.4053-0.3559-1.4611-0.49220.08650.3724-0.59080.83381.3460.22211.39220.06290.58372.11260.19711.1655238.998780.604897.9577
545.8015.4607-2.09519.40610.81488.4737-0.4070.4817-0.66330.59490.1912-2.83931.76372.46920.29751.93320.69160.18032.88630.29411.9221247.332886.724118.0797
556.18674.4603-0.31163.6762-1.1552.2067-0.71610.5332-0.6072-0.049-0.1706-1.9534-1.00182.65250.62751.91320.08360.04343.0867-0.60591.9408254.435398.843111.3042
560.41450.0253-0.15691.88890.4917.33070.01320.04061.02360.29070.1472-0.6206-1.06442.38660.07771.4956-0.70090.1392.31590.19341.4303252.833999.094292.1153
572.61711.8327-2.03161.2275-1.17182.6098-0.1253-1.06-0.71460.0436-0.1958-0.3574-0.04290.8380.13720.85050.06040.27221.39360.13850.6337223.277338.9236255.893
585.1910.6904-4.37398.52193.5449.151-1.3608-2.6278-0.37722.61981.0685-2.27470.6333.42760.39692.1420.263-0.28123.17640.05661.3802235.242547.0866274.1627
594.3146-0.64361.54885.2952.30435.085-0.5697-0.53861.32430.83840.5374-1.0535-1.19312.02150.03821.5204-0.5496-0.06561.7866-0.17650.9619239.874558.3561251.9022
602.52272.08091.24091.54150.7073.058-0.0644-1.13731.0561-0.2969-0.25810.80590.4452-1.34410.47471.13850.1744-0.43451.5969-0.46971.1841277.543856.993100.4547
613.37122.22361.54743.441-1.26683.3444-0.8215-1.38871.15680.66490.7771.6775-0.7285-4.07930.13042.05690.29980.02742.9025-0.22961.8659265.095148.7501117.5932
622.7322-3.20730.37894.3348-1.61783.883-0.1969-0.696-1.1490.15760.75161.28120.826-1.3124-0.44141.6641-0.6934-0.22991.8299-0.09351.5206262.659937.363495.2524
636.38522.49294.53881.19111.01014.64650.4535-1.0421-0.44810.52650.0318-0.15790.4041-0.5695-0.19480.58930.131-0.10220.8937-0.01930.723273.933915.1806261.4991
643.89870.30323.49033.16720.16653.7585-0.4258-2.66780.8760.88670.28310.3799-0.1985-1.00720.23640.9240.0721-0.20992.2315-0.36711.0492261.249717.7975256.0517
655.04184.7663-1.75955.079-0.00927.46-0.3811-1.27641.0391.60610.67270.8361-0.8368-2.5255-0.44651.82160.6861-0.37333.2896-0.33141.7667255.477510.6198275.3111
664.80580.9941-2.49410.96230.94745.56-0.8393-1.0709-0.82592.00510.34271.76820.154-2.13110.4852.5685-0.09240.29673.92090.44131.6245246.09612.0676270.4756
677.8877-0.3296-1.60535.33840.88926.3052-0.7569-0.6055-1.59230.4860.20340.93871.1948-1.820.31221.3173-0.4065-0.01171.73320.2821.1473246.82620.4965249.4939
681.0561-1.636-1.08762.60082.60283.2217-0.53380.015-0.77791.12650.2860.54461.93140.05470.81391.71460.04290.41871.1138-0.43881.6397292.358109.5403175.9978
692.95391.4993-3.49311.5266-1.11286.9902-1.90041.3095-3.7002-1.25851.2909-1.82483.4317-1.09311.01072.8563-0.40730.69952.1645-0.52872.5234295.1567100.2612196.4305
704.4022.6666-0.08594.0131-4.48268.1318-1.9778-1.6559-2.1995-1.76440.0705-0.7818-0.42960.02991.86623.11450.57960.39921.68-0.16382.2064307.156795.9072191.6209
712.9219-0.37790.67380.8935-1.48212.3071-0.041-0.7506-0.1101-0.5566-0.6784-0.03970.75350.29450.5512.01110.55870.47691.7107-0.46592.1023312.075293.795171.2155
721.0103-0.53580.46761.13430.41460.72040.10280.1953-0.0444-0.2918-0.20110.59890.1278-0.0856-0.02260.54190.0611-0.2661.24220.06710.8384212.437835.4761177.3772
732.6075-0.13410.79591.6610.01882.0641-0.0152-0.53470.4930.18390.1554-0.0926-0.0958-0.51130.14020.36130.1283-0.23281.08860.04231.036215.834743.4298189.0452
743.96090.0964-0.82181.62410.35843.06120.1077-0.31020.8842-0.2372-0.12861.3799-0.8265-1.0530.04630.66210.2329-0.38631.63150.00071.7067197.96655.4755180.9075
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 71 through 313 )
2X-RAY DIFFRACTION2chain 'A' and (resid 314 through 381 )
3X-RAY DIFFRACTION3chain 'A' and (resid 382 through 487 )
4X-RAY DIFFRACTION4chain 'B' and (resid 72 through 100 )
5X-RAY DIFFRACTION5chain 'B' and (resid 101 through 124 )
6X-RAY DIFFRACTION6chain 'B' and (resid 125 through 143 )
7X-RAY DIFFRACTION7chain 'B' and (resid 144 through 170 )
8X-RAY DIFFRACTION8chain 'B' and (resid 171 through 272 )
9X-RAY DIFFRACTION9chain 'B' and (resid 273 through 353 )
10X-RAY DIFFRACTION10chain 'B' and (resid 354 through 381 )
11X-RAY DIFFRACTION11chain 'B' and (resid 382 through 424 )
12X-RAY DIFFRACTION12chain 'B' and (resid 425 through 441 )
13X-RAY DIFFRACTION13chain 'B' and (resid 442 through 486 )
14X-RAY DIFFRACTION14chain 'C' and (resid 71 through 100 )
15X-RAY DIFFRACTION15chain 'C' and (resid 101 through 128 )
16X-RAY DIFFRACTION16chain 'C' and (resid 129 through 213 )
17X-RAY DIFFRACTION17chain 'C' and (resid 214 through 313 )
18X-RAY DIFFRACTION18chain 'C' and (resid 314 through 381 )
19X-RAY DIFFRACTION19chain 'C' and (resid 382 through 441 )
20X-RAY DIFFRACTION20chain 'C' and (resid 442 through 470 )
21X-RAY DIFFRACTION21chain 'C' and (resid 471 through 487 )
22X-RAY DIFFRACTION22chain 'D' and (resid 72 through 128 )
23X-RAY DIFFRACTION23chain 'D' and (resid 129 through 213 )
24X-RAY DIFFRACTION24chain 'D' and (resid 214 through 297 )
25X-RAY DIFFRACTION25chain 'D' and (resid 298 through 441 )
26X-RAY DIFFRACTION26chain 'D' and (resid 442 through 486 )
27X-RAY DIFFRACTION27chain 'E' and (resid 71 through 100 )
28X-RAY DIFFRACTION28chain 'E' and (resid 101 through 128 )
29X-RAY DIFFRACTION29chain 'E' and (resid 129 through 170 )
30X-RAY DIFFRACTION30chain 'E' and (resid 171 through 236 )
31X-RAY DIFFRACTION31chain 'E' and (resid 237 through 271 )
32X-RAY DIFFRACTION32chain 'E' and (resid 272 through 353 )
33X-RAY DIFFRACTION33chain 'E' and (resid 354 through 381 )
34X-RAY DIFFRACTION34chain 'E' and (resid 382 through 441 )
35X-RAY DIFFRACTION35chain 'E' and (resid 442 through 486 )
36X-RAY DIFFRACTION36chain 'F' and (resid 71 through 236 )
37X-RAY DIFFRACTION37chain 'F' and (resid 237 through 486 )
38X-RAY DIFFRACTION38chain 'G' and (resid 71 through 170 )
39X-RAY DIFFRACTION39chain 'G' and (resid 171 through 313 )
40X-RAY DIFFRACTION40chain 'G' and (resid 314 through 487 )
41X-RAY DIFFRACTION41chain 'H' and (resid 71 through 170 )
42X-RAY DIFFRACTION42chain 'H' and (resid 171 through 313 )
43X-RAY DIFFRACTION43chain 'H' and (resid 314 through 381 )
44X-RAY DIFFRACTION44chain 'H' and (resid 382 through 487 )
45X-RAY DIFFRACTION45chain 'I' and (resid 3 through 51 )
46X-RAY DIFFRACTION46chain 'I' and (resid 52 through 208 )
47X-RAY DIFFRACTION47chain 'I' and (resid 209 through 270 )
48X-RAY DIFFRACTION48chain 'I' and (resid 271 through 421 )
49X-RAY DIFFRACTION49chain 'K' and (resid 4 through 23 )
50X-RAY DIFFRACTION50chain 'K' and (resid 24 through 250 )
51X-RAY DIFFRACTION51chain 'K' and (resid 251 through 421 )
52X-RAY DIFFRACTION52chain 'L' and (resid 4 through 51 )
53X-RAY DIFFRACTION53chain 'L' and (resid 52 through 188 )
54X-RAY DIFFRACTION54chain 'L' and (resid 189 through 269 )
55X-RAY DIFFRACTION55chain 'L' and (resid 270 through 319 )
56X-RAY DIFFRACTION56chain 'L' and (resid 320 through 421 )
57X-RAY DIFFRACTION57chain 'M' and (resid 3 through 188 )
58X-RAY DIFFRACTION58chain 'M' and (resid 189 through 289 )
59X-RAY DIFFRACTION59chain 'M' and (resid 290 through 421 )
60X-RAY DIFFRACTION60chain 'N' and (resid 4 through 207 )
61X-RAY DIFFRACTION61chain 'N' and (resid 208 through 289 )
62X-RAY DIFFRACTION62chain 'N' and (resid 290 through 421 )
63X-RAY DIFFRACTION63chain 'O' and (resid 4 through 51 )
64X-RAY DIFFRACTION64chain 'O' and (resid 52 through 207 )
65X-RAY DIFFRACTION65chain 'O' and (resid 208 through 260 )
66X-RAY DIFFRACTION66chain 'O' and (resid 261 through 301 )
67X-RAY DIFFRACTION67chain 'O' and (resid 302 through 421 )
68X-RAY DIFFRACTION68chain 'P' and (resid 3 through 188 )
69X-RAY DIFFRACTION69chain 'P' and (resid 189 through 238 )
70X-RAY DIFFRACTION70chain 'P' and (resid 239 through 290 )
71X-RAY DIFFRACTION71chain 'P' and (resid 291 through 421 )
72X-RAY DIFFRACTION72chain 'J' and (resid 4 through 92 )
73X-RAY DIFFRACTION73chain 'J' and (resid 93 through 250 )
74X-RAY DIFFRACTION74chain 'J' and (resid 251 through 421 )

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