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- PDB-2wnt: Crystal Structure of the Human Ribosomal protein S6 kinase -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 2wnt
TitleCrystal Structure of the Human Ribosomal protein S6 kinase
ComponentsRIBOSOMAL PROTEIN S6 KINASE
KeywordsTRANSFERASE / ATP-BINDING / POLYMORPHISM / METAL-BINDING / HUMAN / KINASE / RIBOSOMAL / MAGNESIUM / SERINE/THREONINE-PROTEIN KINASE / PHOSPHOPROTEIN / NUCLEOTIDE-BINDING
Function / homology
Function and homology information


regulation of translation in response to stress / CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling / positive regulation of hepatic stellate cell activation / hepatocyte proliferation / CREB phosphorylation / TORC1 signaling / Gastrin-CREB signalling pathway via PKC and MAPK / RSK activation / negative regulation of TOR signaling / ERK/MAPK targets ...regulation of translation in response to stress / CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling / positive regulation of hepatic stellate cell activation / hepatocyte proliferation / CREB phosphorylation / TORC1 signaling / Gastrin-CREB signalling pathway via PKC and MAPK / RSK activation / negative regulation of TOR signaling / ERK/MAPK targets / Recycling pathway of L1 / Transcriptional and post-translational regulation of MITF-M expression and activity / protein serine/threonine/tyrosine kinase activity / positive regulation of cell differentiation / positive regulation of cell growth / Senescence-Associated Secretory Phenotype (SASP) / chemical synaptic transmission / eukaryotic translation initiation factor 2alpha kinase activity / 3-phosphoinositide-dependent protein kinase activity / DNA-dependent protein kinase activity / ribosomal protein S6 kinase activity / histone H3S10 kinase activity / histone H2AXS139 kinase activity / histone H3S28 kinase activity / histone H4S1 kinase activity / histone H2BS14 kinase activity / histone H3T3 kinase activity / histone H2AS121 kinase activity / Rho-dependent protein serine/threonine kinase activity / histone H2BS36 kinase activity / histone H3S57 kinase activity / histone H2AT120 kinase activity / AMP-activated protein kinase activity / histone H2AS1 kinase activity / histone H3T6 kinase activity / histone H3T11 kinase activity / histone H3T45 kinase activity / non-specific serine/threonine protein kinase / protein phosphorylation / protein serine kinase activity / protein serine/threonine kinase activity / synapse / negative regulation of apoptotic process / positive regulation of DNA-templated transcription / magnesium ion binding / signal transduction / positive regulation of transcription by RNA polymerase II / nucleoplasm / ATP binding / cytosol / cytoplasm
Similarity search - Function
Ribosomal S6 kinase, N-terminal catalytic domain / Ribosomal protein S6 kinase II / Protein kinase, C-terminal / Protein kinase C terminal domain / Extension to Ser/Thr-type protein kinases / AGC-kinase, C-terminal / AGC-kinase C-terminal domain profile. / Phosphorylase Kinase; domain 1 / Phosphorylase Kinase; domain 1 / Transferase(Phosphotransferase) domain 1 ...Ribosomal S6 kinase, N-terminal catalytic domain / Ribosomal protein S6 kinase II / Protein kinase, C-terminal / Protein kinase C terminal domain / Extension to Ser/Thr-type protein kinases / AGC-kinase, C-terminal / AGC-kinase C-terminal domain profile. / Phosphorylase Kinase; domain 1 / Phosphorylase Kinase; domain 1 / Transferase(Phosphotransferase) domain 1 / Transferase(Phosphotransferase); domain 1 / Serine/threonine-protein kinase, active site / Serine/Threonine protein kinases active-site signature. / Protein kinase domain / Serine/Threonine protein kinases, catalytic domain / Protein kinase, ATP binding site / Protein kinases ATP-binding region signature. / Protein kinase domain profile. / Protein kinase domain / Protein kinase-like domain superfamily / 2-Layer Sandwich / Orthogonal Bundle / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
DI(HYDROXYETHYL)ETHER / Ribosomal protein S6 kinase alpha-1
Similarity search - Component
Biological speciesHOMO SAPIENS (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.4 Å
AuthorsMuniz, J.R.C. / Elkins, J.M. / Wang, J. / Ugochukwu, E. / Salah, E. / King, O. / Picaud, S. / von Delft, F. / Bountra, C. / Arrowsmith, C.H. ...Muniz, J.R.C. / Elkins, J.M. / Wang, J. / Ugochukwu, E. / Salah, E. / King, O. / Picaud, S. / von Delft, F. / Bountra, C. / Arrowsmith, C.H. / Weigelt, J. / Edwards, A. / Knapp, S.
CitationJournal: To be Published
Title: Crystal Structure of the Human Ribosomal Protein S6 Kinase
Authors: Muniz, J.R.C. / Elkins, J.M. / Wang, J. / Ugochukwu, E. / Salah, E. / King, O. / Picaud, S. / von Delft, F. / Bountra, C. / Arrowsmith, C.H. / Weigelt, J. / Edwards, A. / Knapp, S.
History
DepositionJul 20, 2009Deposition site: PDBE / Processing site: PDBE
Revision 1.0Aug 25, 2009Provider: repository / Type: Initial release
Revision 1.1May 8, 2011Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Jan 24, 2018Group: Database references / Structure summary / Category: audit_author / citation_author / Item: _audit_author.name / _citation_author.name
Revision 1.4Nov 20, 2024Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Other / Structure summary
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_entry_details / pdbx_modification_feature / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: RIBOSOMAL PROTEIN S6 KINASE
B: RIBOSOMAL PROTEIN S6 KINASE
hetero molecules


Theoretical massNumber of molelcules
Total (without water)74,6318
Polymers74,3152
Non-polymers3176
Water4,270237
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2470 Å2
ΔGint-55.78 kcal/mol
Surface area25060 Å2
MethodPISA
Unit cell
Length a, b, c (Å)39.660, 142.910, 60.960
Angle α, β, γ (deg.)90.00, 94.90, 90.00
Int Tables number4
Space group name H-MP1211
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
21
12
22
13
23
14
24
15
25
16
26
17
27
18
28
19
29
110
210
111
211
112
212
113
213
114
214
115
215
116
216
117
217

NCS domain segments:
Dom-IDComponent-IDEns-IDSelection details
111CHAIN A AND (RESSEQ 418:425)
211CHAIN B AND (RESSEQ 418:425)
112CHAIN A AND (RESSEQ 432:447)
212CHAIN B AND (RESSEQ 432:447)
113CHAIN A AND (RESSEQ 448:456)
213CHAIN B AND (RESSEQ 448:456)
114CHAIN A AND (RESSEQ 457:479)
214CHAIN B AND (RESSEQ 457:479)
115CHAIN A AND (RESSEQ 486:502)
215CHAIN B AND (RESSEQ 486:502)
116CHAIN A AND (RESSEQ 503:505)
216CHAIN B AND (RESSEQ 503:505)
117CHAIN A AND (RESSEQ 506:522)
217CHAIN B AND (RESSEQ 506:522)
118CHAIN A AND (RESSEQ 523:557)
218CHAIN B AND (RESSEQ 523:557)
119CHAIN A AND (RESSEQ 558:563)
219CHAIN B AND (RESSEQ 558:563)
1110CHAIN A AND (RESSEQ 564:573)
2110CHAIN B AND (RESSEQ 564:573)
1111CHAIN A AND (RESSEQ 587:621)
2111CHAIN B AND (RESSEQ 587:621)
1112CHAIN A AND (RESSEQ 622:634)
2112CHAIN B AND (RESSEQ 622:634)
1113CHAIN A AND (RESSEQ 635:637)
2113CHAIN B AND (RESSEQ 635:637)
1114CHAIN A AND (RESSEQ 638:643)
2114CHAIN B AND (RESSEQ 638:643)
1115CHAIN A AND (RESSEQ 644:685)
2115CHAIN B AND (RESSEQ 644:685)
1116CHAIN A AND (RESSEQ 686:688)
2116CHAIN B AND (RESSEQ 686:688)
1117CHAIN A AND (RESSEQ 689:707)
2117CHAIN B AND (RESSEQ 689:707)

NCS ensembles :
ID
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17

NCS oper: (Code: given
Matrix: (-0.999874, -0.011587, 0.010804), (0.009491, -0.984138, -0.17715), (0.012686, -0.177025, 0.984125)
Vector: 20.3565, 1.03814, -0.69162)

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Components

#1: Protein RIBOSOMAL PROTEIN S6 KINASE / 90 KDA RIBOSOMAL PROTEIN S6 KINASE 1 / P90-RSK 1 / PP90RSK1 / P90S6K / RIBOSOMAL S6 KINASE 1 / MAP ...90 KDA RIBOSOMAL PROTEIN S6 KINASE 1 / P90-RSK 1 / PP90RSK1 / P90S6K / RIBOSOMAL S6 KINASE 1 / MAP KINASE-ACTIVATED PROTEIN KINASE 1A / S6K-ALPHA 1 / RSK-1 / MAPKAPK1A


Mass: 37157.270 Da / Num. of mol.: 2 / Fragment: RESIDUES 413-719 / Source method: obtained synthetically / Details: PKINASE C FROM 341-385 AND PKINASE FROM 418-675 / Source: (synth.) HOMO SAPIENS (human)
References: UniProt: Q15418, non-specific serine/threonine protein kinase
#2: Chemical ChemComp-NA / SODIUM ION


Mass: 22.990 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Na
#3: Chemical ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Cl
#4: Chemical ChemComp-PEG / DI(HYDROXYETHYL)ETHER


Mass: 106.120 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C4H10O3
#5: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 237 / Source method: isolated from a natural source / Formula: H2O
Has protein modificationY

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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: 2.32 Å3/Da / Density % sol: 47.08 %
Description: DATA COLLECTED UP TO 2.3, BUT CUTTED IN 2.4 DURING REFINEMENT.
Crystal growDetails: 20% PEG 3350, 0.20M NA(FORM)

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X10SA / Wavelength: 0.97117
DetectorType: MARRESEARCH / Detector: CCD / Date: Jun 5, 2009
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97117 Å / Relative weight: 1
ReflectionResolution: 2.3→39.52 Å / Num. obs: 29999 / % possible obs: 100 % / Observed criterion σ(I): 2 / Redundancy: 3.5 % / Rmerge(I) obs: 0.05 / Net I/σ(I): 7.4
Reflection shellResolution: 2.3→2.42 Å / Redundancy: 3.5 % / Rmerge(I) obs: 1.05 / Mean I/σ(I) obs: 2.1 / % possible all: 100

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Processing

Software
NameVersionClassification
PHENIX(PHENIX.REFINE)refinement
MOSFLMdata reduction
SCALEPACKdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.4→39.515 Å / SU ML: 0.22 / σ(F): 1.37 / Phase error: 26.11 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2402 1756 6.7 %
Rwork0.1893 --
obs0.1927 26392 99.89 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 67.792 Å2 / ksol: 0.343 e/Å3
Displacement parameters
Baniso -1Baniso -2Baniso -3
1--7.6603 Å20 Å2-1.342 Å2
2---4.5879 Å2-0 Å2
3---12.2482 Å2
Refinement stepCycle: LAST / Resolution: 2.4→39.515 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms4290 0 18 237 4545
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0054482
X-RAY DIFFRACTIONf_angle_d0.96093
X-RAY DIFFRACTIONf_dihedral_angle_d14.7111596
X-RAY DIFFRACTIONf_chiral_restr0.06698
X-RAY DIFFRACTIONf_plane_restr0.003787
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDTypeRms dev position (Å)
11A63X-RAY DIFFRACTIONPOSITIONAL
12B63X-RAY DIFFRACTIONPOSITIONAL0.026
21A111X-RAY DIFFRACTIONPOSITIONAL
22B111X-RAY DIFFRACTIONPOSITIONAL0.02
31A32X-RAY DIFFRACTIONPOSITIONAL
32B32X-RAY DIFFRACTIONPOSITIONAL0.033
41A161X-RAY DIFFRACTIONPOSITIONAL
42B161X-RAY DIFFRACTIONPOSITIONAL0.027
51A136X-RAY DIFFRACTIONPOSITIONAL
52B136X-RAY DIFFRACTIONPOSITIONAL0.033
61A15X-RAY DIFFRACTIONPOSITIONAL
62B15X-RAY DIFFRACTIONPOSITIONAL0.068
71A132X-RAY DIFFRACTIONPOSITIONAL
72B132X-RAY DIFFRACTIONPOSITIONAL0.029
81A279X-RAY DIFFRACTIONPOSITIONAL
82B279X-RAY DIFFRACTIONPOSITIONAL0.033
91A45X-RAY DIFFRACTIONPOSITIONAL
92B45X-RAY DIFFRACTIONPOSITIONAL0.028
101A68X-RAY DIFFRACTIONPOSITIONAL
102B68X-RAY DIFFRACTIONPOSITIONAL0.03
111A247X-RAY DIFFRACTIONPOSITIONAL
112B247X-RAY DIFFRACTIONPOSITIONAL0.038
121A92X-RAY DIFFRACTIONPOSITIONAL
122B92X-RAY DIFFRACTIONPOSITIONAL0.039
131A15X-RAY DIFFRACTIONPOSITIONAL
132B15X-RAY DIFFRACTIONPOSITIONAL0.048
141A45X-RAY DIFFRACTIONPOSITIONAL
142B45X-RAY DIFFRACTIONPOSITIONAL0.056
151A310X-RAY DIFFRACTIONPOSITIONAL
152B310X-RAY DIFFRACTIONPOSITIONAL0.033
161A24X-RAY DIFFRACTIONPOSITIONAL
162B24X-RAY DIFFRACTIONPOSITIONAL0.037
171A122X-RAY DIFFRACTIONPOSITIONAL
172B122X-RAY DIFFRACTIONPOSITIONAL0.038
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.4-2.46490.29341310.25851916X-RAY DIFFRACTION100
2.4649-2.53740.28151390.24531864X-RAY DIFFRACTION100
2.5374-2.61930.31741470.23161874X-RAY DIFFRACTION100
2.6193-2.71290.2461190.21161894X-RAY DIFFRACTION100
2.7129-2.82150.26871380.20291910X-RAY DIFFRACTION100
2.8215-2.94990.27541290.19671869X-RAY DIFFRACTION100
2.9499-3.10540.25221370.19191907X-RAY DIFFRACTION100
3.1054-3.29980.23881420.17861906X-RAY DIFFRACTION100
3.2998-3.55450.2131340.16541878X-RAY DIFFRACTION100
3.5545-3.91190.20041410.15531886X-RAY DIFFRACTION100
3.9119-4.47730.2011240.15231911X-RAY DIFFRACTION100
4.4773-5.63830.20861390.16951913X-RAY DIFFRACTION100
5.6383-39.52040.25751360.20541908X-RAY DIFFRACTION99
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)
15.62673.46830.10126.0663-0.01334.11650.6889-0.57680.427-0.0349-1.03330.8099-0.19070.62110.39260.53540.1391-0.10250.9771-0.2020.89947.760121.973944.7778
22.24612.453-0.4733-0.52660.0631.7373-0.5410.4101-1.08910.43610.184-0.6991-0.7214-0.3620.26610.78640.2689-0.61650.7882-0.5832.1552-3.233819.518237.195
33.78652.17162.78725.10491.55554.2890.49060.11081.67160.789-1.24260.49520.50680.41990.35060.4091-0.0115-0.13870.575-0.07820.692612.305818.624743.2822
4-5.50721.37292.11438.64-0.3475-1.74710.08461.7401-0.05140.3948-0.77651.31560.6094-0.19370.74210.2556-0.38790.24830.8369-0.27240.9187-2.670610.781938.2444
50.64730.1807-0.54741.80694.04013.0567-0.201-0.1104-0.25320.4412-0.29570.10091.02130.25790.42830.30530.0513-0.01230.14550.11670.4718.81317.958730.1822
61.40280.3933-0.0272-0.9990.4058-0.32390.284-0.5435-0.39160.7135-0.9459-0.02890.292-0.04460.22141.9737-1.34330.41051.54920.20071.2387-1.18948.425544.8477
71.56322.017-1.20371.673-1.47852.79060.2622-0.3860.34130.10910.01280.51950.0134-0.1445-0.20220.2101-0.0240.02220.2965-0.05050.42619.777423.727331.0593
83.09496.3941-4.21398.74614.79787.05340.1679-0.4734-0.15070.6646-0.64640.44780.25880.80140.04760.3083-0.1598-0.07280.4607-0.13370.532913.779735.252823.5091
90.4831-1.2405-0.31071.92820.24771.0308-0.07240.25110.32210.1460.2264-0.704-0.03590.1243-0.09140.10630.01880.00190.1630.03040.322814.831624.503814.6347
102.1278-2.5018-0.95082.23410.86122.3533-0.0922-0.1994-0.0886-0.0355-0.07430.1898-0.07940.01280.14670.20650.00160.05980.17390.02590.56189.279717.432122.9589
116.6579-7.0584-2.65557.7792.48358.9045-0.753-1.2885-2.27860.72170.19372.40991.0350.48911.05910.2179-0.03810.31940.18540.03240.99750.29998.97324.9117
124.5406-1.592-0.97882.72780.12910.0716-0.00460.3134-1.40892.1602-0.65141.016-0.1827-0.03430.49110.5298-0.09560.14220.25130.06491.14781.377-4.557320.4932
134.55263.95612.411-5.5273-2.72632.58190.3744-0.26521.2809-0.94730.49062.74510.2433-0.9228-1.08740.4550.03850.08120.25570.23141.06574.9976-3.195611.6888
143.1274-1.40750.4589-0.43340.67091.5130.08030.2125-0.43380.28290.01180.47280.0856-0.1678-0.08480.0689-0.00360.00910.18590.00120.7414-1.534322.966413.9319
151.6994-1.735-0.68641.3448-0.15041.56470.13620.25830.02630.0464-0.45560.0059-0.16180.01680.18690.131-0.0013-0.01280.241-0.02040.6438-11.401427.160810.6425
162.0014-1.7128-4.56214.5348-6.44651.99820.88570.30121.05480.14290.39460.1621-1.0061-0.855-0.65840.17210.0443-0.15170.26440.08230.5826-0.196833.71382.64
172.7148-6.00590.85234.0436-1.5026.19260.1479-0.35630.00210.5792-0.3362-0.9498-0.6566-1.05170.25170.14620.0344-0.02050.27930.11780.57625.2237.47024.2059
183.0397-2.44-0.97693.22610.31081.31730.19480.3488-0.493-0.2183-0.32280.26090.1463-0.00340.15210.09660.0297-0.04020.10560.03530.36038.976522.03465.0883
199.1213.95333.49554.4765-7.60817.50310.48530.05520.15850.7897-0.64380.1943-1.11260.79810.38870.1429-0.0341-0.07040.28410.18520.90788.469438.197814.2037
202.0901-1.279-0.69661.5110.52240.63310.2196-0.29690.5662-0.1466-0.2666-0.119-0.0969-0.0102-0.07990.2070.00320.02830.2647-0.05250.648-3.844629.829121.2728
210.86891.24181.18673.9285-5.86434.5203-0.3613-0.5269-0.11651.18560.6838-0.2933-0.3717-0.2874-0.16990.61560.2058-0.01310.50750.10170.698114.0533-28.310240.2532
22-4.90747.68841.94026.717-8.67679.0136-0.88221.0012-1.55050.912-1.041-2.6667-0.4365-0.31941.54930.37830.12280.01820.58450.07181.463124.7848-23.616734.0799
232.71440.2965-1.79111.19180.46593.0122-0.50120.2185-0.62350.66060.10330.20710.0733-0.7469-0.21220.43150.18310.05580.4850.1860.28059.3262-25.284639.7043
246.7917-5.4153.74581.9124-3.17267.8836-0.7429-0.4603-1.648-0.16960.42370.1228-1.16840.4650.46410.7106-0.2265-0.37590.71610.07041.072924.7989-14.323936.3805
253.8049-0.89983.14683.8598-2.00034.3793-0.5787-0.40040.46080.90220.3726-0.198-1.2401-0.32620.22480.46190.1818-0.0260.2366-0.08610.395910.8095-12.553429.2227
262.8627-1.70430.39656.9386-0.4792.1613-0.059-0.72030.7129-0.11390.46940.4013-0.118-0.10890.14350.99420.1945-0.53250.7341-0.11070.766321.2384-14.215942.6918
272.1091-1.3622-1.15325.4873-1.60055.1834-0.2002-0.4985-0.60740.26960.58730.3775-0.01020.3766-0.11190.14990.02820.02280.22760.12480.404911.0435-27.703826.9064
283.2918-1.06024.18911.8288-3.1037.4434-0.866-0.6883-1.7728-0.0152-0.4073-0.589-0.1635-1.18120.46580.3142-0.00190.04470.39260.30190.9697.507-38.685417.9729
292.6112-0.91280.87522.61220.68122.01920.01730.139-0.73280.26490.14360.49460.2131-0.0023-0.10960.08930.01530.00190.14260.01680.31565.63-26.351310.2886
302.6264-2.6784-0.62222.6089-0.64021.5046-0.2246-0.2594-0.0159-0.12710.2748-0.42320.0286-0.0661-0.01710.16760.0194-0.10820.16480.0060.419311.2642-20.069820.0037
311.514-0.5971.21546.0747-1.32192.9154-1.3879-1.03720.9810.92690.4568-1.8147-0.73690.02380.74620.34660.0414-0.40180.251-0.1780.893219.826-11.9223.5061
324.3502-7.16160.6767-1.5422.35813.5529-0.29720.16581.6180.6210.2373-3.1008-0.4787-0.4304-0.05980.5622-0.0274-0.42110.1876-0.14731.067519.31942.267221.1738
334.5869-4.2103-0.06397.5084-0.23749.33361.3771-1.41050.0972-1.72970.4883-0.00060.92431.1535-1.83890.6824-0.181-0.29490.3248-0.03130.993614.03452.360112.8822
344.366-1.6333-1.62671.8991-2.05631.44780.0250.33320.18410.4715-0.1234-0.3671-0.0270.28940.14790.09060.001-0.08710.1866-0.02140.552922.1612-24.964810.2859
350.7854-1.74080.28571.12320.23951.67970.00430.51550.1071-0.2313-0.2376-0.3875-0.0387-0.24620.10510.1004-0.0038-0.01280.19780.01840.567632.823-27.56766.7409
363.9137-1.33310.36633.25231.50881.1673-0.2270.349-0.56270.07831.1209-1.33870.41190.9011-0.47630.31930.0741-0.12480.3225-0.08820.660821.2125-32.0372-1.9523
372.1117-3.0547-3.10898.83653.61675.54130.7367-0.47831.49830.3928-1.55320.92250.1762-0.52940.55140.2333-0.01960.00120.2731-0.28150.822115.5804-36.291-1.1472
384.5177-4.1335-0.03234.85080.79321.86020.34870.68280.001-0.2796-0.2588-0.636-0.15560.008-0.08970.06250.0427-0.00320.1637-0.02570.23311.8446-21.61611.5304
394.1752-4.2573-9.60541.8217.41988.1473-1.22511.1352-0.92040.8385-0.5681-0.11050.50050.71290.87760.1375-0.062-0.13280.3359-0.07050.912712.3304-39.1728.0897
404.1353-1.76010.29142.2525-1.6241.33310.0469-0.42030.3002-0.1208-0.18670.61050.07010.38110.10280.18560.0101-0.06590.26370.10560.550324.7459-32.014916.4944
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1(CHAIN A AND RESID 418:425)
2X-RAY DIFFRACTION2(CHAIN A AND RESID 426:431)
3X-RAY DIFFRACTION3(CHAIN A AND RESID 432:447)
4X-RAY DIFFRACTION4(CHAIN A AND RESID 448:456)
5X-RAY DIFFRACTION5(CHAIN A AND RESID 457:479)
6X-RAY DIFFRACTION6(CHAIN A AND RESID 480:485)
7X-RAY DIFFRACTION7(CHAIN A AND RESID 486:502)
8X-RAY DIFFRACTION8(CHAIN A AND RESID 503:505)
9X-RAY DIFFRACTION9(CHAIN A AND RESID 506:522)
10X-RAY DIFFRACTION10(CHAIN A AND RESID 523:557)
11X-RAY DIFFRACTION11(CHAIN A AND RESID 558:563)
12X-RAY DIFFRACTION12(CHAIN A AND RESID 564:573)
13X-RAY DIFFRACTION13(CHAIN A AND RESID 574:577)
14X-RAY DIFFRACTION14(CHAIN A AND RESID 587:621)
15X-RAY DIFFRACTION15(CHAIN A AND RESID 622:634)
16X-RAY DIFFRACTION16(CHAIN A AND RESID 635:637)
17X-RAY DIFFRACTION17(CHAIN A AND RESID 638:643)
18X-RAY DIFFRACTION18(CHAIN A AND RESID 644:685)
19X-RAY DIFFRACTION19(CHAIN A AND RESID 686:688)
20X-RAY DIFFRACTION20(CHAIN A AND RESID 689:707)
21X-RAY DIFFRACTION21(CHAIN B AND RESID 418:425)
22X-RAY DIFFRACTION22(CHAIN B AND RESID 426:431)
23X-RAY DIFFRACTION23(CHAIN B AND RESID 432:447)
24X-RAY DIFFRACTION24(CHAIN B AND RESID 448:456)
25X-RAY DIFFRACTION25(CHAIN B AND RESID 457:479)
26X-RAY DIFFRACTION26(CHAIN B AND RESID 480:485)
27X-RAY DIFFRACTION27(CHAIN B AND RESID 486:502)
28X-RAY DIFFRACTION28(CHAIN B AND RESID 503:505)
29X-RAY DIFFRACTION29(CHAIN B AND RESID 506:522)
30X-RAY DIFFRACTION30(CHAIN B AND RESID 523:557)
31X-RAY DIFFRACTION31(CHAIN B AND RESID 558:563)
32X-RAY DIFFRACTION32(CHAIN B AND RESID 564:573)
33X-RAY DIFFRACTION33(CHAIN B AND RESID 574:576)
34X-RAY DIFFRACTION34(CHAIN B AND RESID 587:621)
35X-RAY DIFFRACTION35(CHAIN B AND RESID 622:634)
36X-RAY DIFFRACTION36(CHAIN B AND RESID 635:637)
37X-RAY DIFFRACTION37(CHAIN B AND RESID 638:643)
38X-RAY DIFFRACTION38(CHAIN B AND RESID 644:685)
39X-RAY DIFFRACTION39(CHAIN B AND RESID 686:688)
40X-RAY DIFFRACTION40(CHAIN B AND RESID 689:707)

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