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- PDB-4f7u: The 6S snRNP assembly intermediate -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 4f7u
TitleThe 6S snRNP assembly intermediate
Components
  • (Small nuclear ribonucleoprotein ...) x 5
  • Methylosome subunit pICln
KeywordsSPLICING / Assembly Machine
Function / homology
Function and homology information


SLBP independent Processing of Histone Pre-mRNAs / SLBP Dependent Processing of Replication-Dependent Histone Pre-mRNAs / snRNP Assembly / mRNA Splicing - Minor Pathway / RNA Polymerase II Transcription Termination / mRNA Splicing - Major Pathway / hair cycle / U7 snRNP / U12-type spliceosomal complex / methylosome ...SLBP independent Processing of Histone Pre-mRNAs / SLBP Dependent Processing of Replication-Dependent Histone Pre-mRNAs / snRNP Assembly / mRNA Splicing - Minor Pathway / RNA Polymerase II Transcription Termination / mRNA Splicing - Major Pathway / hair cycle / U7 snRNP / U12-type spliceosomal complex / methylosome / U1 snRNP binding / pICln-Sm protein complex / sno(s)RNA-containing ribonucleoprotein complex / SMN-Sm protein complex / spliceosomal tri-snRNP complex / P granule / cell volume homeostasis / telomerase holoenzyme complex / mRNA cis splicing, via spliceosome / U2-type precatalytic spliceosome / commitment complex / U2-type catalytic step 2 spliceosome / U4 snRNP / U2 snRNP / chloride transport / U1 snRNP / U2-type prespliceosome / precatalytic spliceosome / U5 snRNP / spliceosomal snRNP assembly / U4/U6 x U5 tri-snRNP complex / catalytic step 2 spliceosome / spliceosomal complex / mRNA splicing, via spliceosome / cytoskeleton / ribonucleoprotein complex / RNA binding / nucleoplasm / nucleus / plasma membrane / cytoplasm / cytosol
Similarity search - Function
ICln / Protein ICln/Lot5/Saf5 / Regulator of volume decrease after cellular swelling / Small nuclear ribonucleoprotein D1 / Small nuclear ribonucleoprotein Sm D2 / SH3 type barrels. - #100 / Small nuclear ribonucleoprotein E / Small nuclear ribonucleoprotein G / Small nuclear ribonucleoprotein F / Like-Sm (LSM) domain containing protein, LSm4/SmD1/SmD3 ...ICln / Protein ICln/Lot5/Saf5 / Regulator of volume decrease after cellular swelling / Small nuclear ribonucleoprotein D1 / Small nuclear ribonucleoprotein Sm D2 / SH3 type barrels. - #100 / Small nuclear ribonucleoprotein E / Small nuclear ribonucleoprotein G / Small nuclear ribonucleoprotein F / Like-Sm (LSM) domain containing protein, LSm4/SmD1/SmD3 / Sm-like protein Lsm6/SmF / LSM domain / LSM domain, eukaryotic/archaea-type / snRNP Sm proteins / LSM domain superfamily / Pleckstrin-homology domain (PH domain)/Phosphotyrosine-binding domain (PTB) / PH-domain like / SH3 type barrels. / PH-like domain superfamily / Roll / Mainly Beta
Similarity search - Domain/homology
Methylosome subunit pICln / Small nuclear ribonucleoprotein E / Small nuclear ribonucleoprotein G / Small nuclear ribonucleoprotein Sm D1 / Small nuclear ribonucleoprotein Sm D2 / Small nuclear ribonucleoprotein F
Similarity search - Component
Biological speciesMus musculus (house mouse)
Xenopus laevis (African clawed frog)
Drosophila melanogaster (fruit fly)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.898 Å
AuthorsGrimm, C. / Pelz, J.P.
CitationJournal: Mol Cell / Year: 2013
Title: Structural basis of assembly chaperone- mediated snRNP formation.
Authors: Clemens Grimm / Ashwin Chari / Jann-Patrick Pelz / Jochen Kuper / Caroline Kisker / Kay Diederichs / Holger Stark / Hermann Schindelin / Utz Fischer /
Abstract: Small nuclear ribonucleoproteins (snRNPs) represent key constituents of major and minor spliceosomes. snRNPs contain a common core, composed of seven Sm proteins bound to snRNA, which forms in a step- ...Small nuclear ribonucleoproteins (snRNPs) represent key constituents of major and minor spliceosomes. snRNPs contain a common core, composed of seven Sm proteins bound to snRNA, which forms in a step-wise and factor-mediated reaction. The assembly chaperone pICln initially mediates the formation of an otherwise unstable pentameric Sm protein unit. This so-called 6S complex docks subsequently onto the SMN complex, which removes pICln and enables the transfer of pre-assembled Sm proteins onto snRNA. X-ray crystallography and electron microscopy was used to investigate the structural basis of snRNP assembly. The 6S complex structure identifies pICln as an Sm protein mimic, which enables the topological organization of the Sm pentamer in a closed ring. A second structure of 6S bound to the SMN complex components SMN and Gemin2 uncovers a plausible mechanism of pICln elimination and Sm protein activation for snRNA binding. Our studies reveal how assembly factors facilitate formation of RNA-protein complexes in vivo.
History
DepositionMay 16, 2012Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jan 30, 2013Provider: repository / Type: Initial release
Revision 1.1Mar 13, 2013Group: Database references
Revision 1.2Jan 28, 2015Group: Structure summary
Revision 1.3Aug 9, 2017Group: Refinement description / Source and taxonomy / Category: entity_src_gen / software
Item: _entity_src_gen.entity_id / _entity_src_gen.gene_src_common_name ..._entity_src_gen.entity_id / _entity_src_gen.gene_src_common_name / _entity_src_gen.pdbx_beg_seq_num / _entity_src_gen.pdbx_end_seq_num / _entity_src_gen.pdbx_gene_src_gene / _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id / _entity_src_gen.pdbx_gene_src_scientific_name / _entity_src_gen.pdbx_src_id
Revision 1.4Sep 13, 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_ref_seq_dif / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ref_seq_dif.details / _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: Small nuclear ribonucleoprotein Sm D1
B: Small nuclear ribonucleoprotein Sm D2
C: Small nuclear ribonucleoprotein Sm D1
D: Small nuclear ribonucleoprotein Sm D2
E: Small nuclear ribonucleoprotein E
H: Small nuclear ribonucleoprotein E
F: Small nuclear ribonucleoprotein F
I: Small nuclear ribonucleoprotein F
G: Small nuclear ribonucleoprotein G
J: Small nuclear ribonucleoprotein G
Q: Methylosome subunit pICln
P: Methylosome subunit pICln
hetero molecules


Theoretical massNumber of molelcules
Total (without water)141,45113
Polymers141,16812
Non-polymers2821
Water6,702372
1
A: Small nuclear ribonucleoprotein Sm D1
B: Small nuclear ribonucleoprotein Sm D2
E: Small nuclear ribonucleoprotein E
F: Small nuclear ribonucleoprotein F
G: Small nuclear ribonucleoprotein G
P: Methylosome subunit pICln


Theoretical massNumber of molelcules
Total (without water)70,5846
Polymers70,5846
Non-polymers00
Water1086
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area10330 Å2
ΔGint-49 kcal/mol
Surface area21880 Å2
MethodPISA
2
C: Small nuclear ribonucleoprotein Sm D1
D: Small nuclear ribonucleoprotein Sm D2
H: Small nuclear ribonucleoprotein E
I: Small nuclear ribonucleoprotein F
J: Small nuclear ribonucleoprotein G
Q: Methylosome subunit pICln
hetero molecules


Theoretical massNumber of molelcules
Total (without water)70,8667
Polymers70,5846
Non-polymers2821
Water1086
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area9980 Å2
ΔGint-52 kcal/mol
Surface area22430 Å2
MethodPISA
Unit cell
Length a, b, c (Å)180.720, 65.298, 99.346
Angle α, β, γ (deg.)90.00, 92.47, 90.00
Int Tables number5
Space group name H-MC121

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Components

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Small nuclear ribonucleoprotein ... , 5 types, 10 molecules ACBDEHFIGJ

#1: Protein Small nuclear ribonucleoprotein Sm D1 / Sm-D1 / Sm-D autoantigen / snRNP core protein D1


Mass: 13310.653 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Gene: Snrpd1 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: P62315
#2: Protein Small nuclear ribonucleoprotein Sm D2 / Sm-D2 / snRNP core protein D2


Mass: 13551.928 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Gene: Snrpd2 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: P62317
#3: Protein Small nuclear ribonucleoprotein E / snRNP-E / Sm protein E / Sm-E / SmE


Mass: 10817.601 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Gene: Snrpe / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: P62305
#4: Protein Small nuclear ribonucleoprotein F / snRNP-F / Sm protein F / Sm-F / SmF


Mass: 9734.171 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Xenopus laevis (African clawed frog) / Gene: snrpf / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: P62321
#5: Protein Small nuclear ribonucleoprotein G / snRNP-G / Sm protein G / Sm-G / SmG


Mass: 8508.084 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Gene: Snrpg / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: P62309

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Protein , 1 types, 2 molecules QP

#6: Protein Methylosome subunit pICln / SD10511p


Mass: 14661.660 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Drosophila melanogaster (fruit fly) / Gene: CG4924, icln / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: A1ZAW5

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Non-polymers , 2 types, 373 molecules

#7: Chemical ChemComp-P6G / HEXAETHYLENE GLYCOL / POLYETHYLENE GLYCOL PEG400


Mass: 282.331 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C12H26O7 / Comment: precipitant*YM
#8: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 372 / Source method: isolated from a natural source / Formula: H2O

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Details

Sequence detailsTHE SEQUENCE FOR CHAIN P AND Q (PICLN) MATCHES TO THE SEQEUNCE OF GENBANK ACCESSION NO AAF21126. ...THE SEQUENCE FOR CHAIN P AND Q (PICLN) MATCHES TO THE SEQEUNCE OF GENBANK ACCESSION NO AAF21126. THE MISMATCH TO UNP ACCESS A1ZAW5 AT POSITION 6 IS DUE TO POLYMORPHISM.

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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: 2.07 Å3/Da / Density % sol: 40.7 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7
Details: 15% Jeffamine ED-2003 titrated to pH 7, 10% ethanol, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: ID14-4 / Wavelength: 0.9393 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Oct 20, 2011
RadiationMonochromator: XXX / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9393 Å / Relative weight: 1
ReflectionResolution: 1.9→49.6 Å / Num. all: 91669 / Num. obs: 88058 / % possible obs: 96.2 % / Redundancy: 2.69 %
Reflection shellResolution: 1.9→2.01 Å / Redundancy: 2.71 % / Rsym value: 0.582 / % possible all: 96.2

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Processing

Software
NameVersionClassification
MxCuBEdata collection
PHASERphasing
PHENIXphenix.refine: 1.7.1_743refinement
XDSdata reduction
XDSdata scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4F77

4f77
PDB Unreleased entry


Resolution: 1.898→49.627 Å / SU ML: 0.5 / σ(F): 1.99 / Phase error: 23.5 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2213 4426 5.03 %
Rwork0.1807 --
obs0.1827 88054 96.06 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 47.437 Å2 / ksol: 0.348 e/Å3
Displacement parameters
Baniso -1Baniso -2Baniso -3
1--6.4478 Å20 Å2-3.0352 Å2
2--8.7345 Å2-0 Å2
3----2.2867 Å2
Refinement stepCycle: LAST / Resolution: 1.898→49.627 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms7985 0 13 372 8370
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0158301
X-RAY DIFFRACTIONf_angle_d1.58311217
X-RAY DIFFRACTIONf_dihedral_angle_d14.623195
X-RAY DIFFRACTIONf_chiral_restr0.1141296
X-RAY DIFFRACTIONf_plane_restr0.0081414
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.8982-1.91980.35021170.31282518X-RAY DIFFRACTION85
1.9198-1.94240.36691610.29782697X-RAY DIFFRACTION96
1.9424-1.96610.321470.26382777X-RAY DIFFRACTION96
1.9661-1.9910.27191510.24312782X-RAY DIFFRACTION96
1.991-2.01720.25441550.22812724X-RAY DIFFRACTION96
2.0172-2.04480.26841320.22392830X-RAY DIFFRACTION96
2.0448-2.0740.24291270.21992780X-RAY DIFFRACTION96
2.074-2.1050.26821370.21552795X-RAY DIFFRACTION96
2.105-2.13790.26561510.20182762X-RAY DIFFRACTION97
2.1379-2.17290.23381410.22786X-RAY DIFFRACTION96
2.1729-2.21040.22471580.19132768X-RAY DIFFRACTION97
2.2104-2.25060.27711490.19492823X-RAY DIFFRACTION97
2.2506-2.29390.22741660.1912754X-RAY DIFFRACTION97
2.2939-2.34070.27571420.19472837X-RAY DIFFRACTION97
2.3407-2.39160.27611460.1942763X-RAY DIFFRACTION97
2.3916-2.44720.22361360.18492823X-RAY DIFFRACTION97
2.4472-2.50840.26811500.19052813X-RAY DIFFRACTION97
2.5084-2.57620.23911590.19422775X-RAY DIFFRACTION97
2.5762-2.6520.26851410.19092831X-RAY DIFFRACTION97
2.652-2.73760.25641650.18792801X-RAY DIFFRACTION97
2.7376-2.83550.23211630.18482841X-RAY DIFFRACTION98
2.8355-2.9490.25861660.19052767X-RAY DIFFRACTION97
2.949-3.08320.21861370.19472853X-RAY DIFFRACTION97
3.0832-3.24570.2381300.18732815X-RAY DIFFRACTION97
3.2457-3.4490.20891710.17962798X-RAY DIFFRACTION96
3.449-3.71520.18181430.16512819X-RAY DIFFRACTION96
3.7152-4.08890.18591490.15312801X-RAY DIFFRACTION96
4.0889-4.68020.15041530.12352811X-RAY DIFFRACTION96
4.6802-5.89510.17961380.14782889X-RAY DIFFRACTION97
5.8951-49.64380.23211450.20142795X-RAY DIFFRACTION92
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)
10.1266-0.028-0.01180.0639-0.05840.0593-0.10720.05660.4084-0.08580.08270.0683-0.026-0.1756-0.03870.32890.0283-0.0220.19680.03760.3793-6.34596.475925.6601
20.5969-0.52310.01350.72020.00030.05370.0751-0.51390.2951-0.0789-0.0961-0.15390.1353-0.2414-0.02590.2303-0.0338-0.00740.3564-0.02230.1463-6.7184-2.394734.7237
30.3503-0.0748-0.03310.05020.01520.03120.1282-0.06630.55820.1370.03670.00370.1267-0.15390.05590.27620.08750.02710.04860.02770.4979-11.30238.398925.1067
40.02060.0105-0.00840.008-0.01040.02440.00940.12080.1342-0.07350.09710.0862-0.1228-0.08690.10190.39220.16340.02040.48180.39230.4828-18.1655.98845.5321
50.05580.0133-0.01820.08780.03340.0263-0.01890.07440.43060.16030.00690.07980.0758-0.036-0.01330.39940.12920.00740.3090.08430.2868-24.14811.011619.1082
60.06110.03120.07660.01890.01730.1305-0.06060.04620.2538-0.0271-0.03370.0051-0.1409-0.0482-0.0720.18140.30740.01950.07940.24640.3444-21.70245.637119.5733
70.00330.00010.00410.0106-0.00020.00180.0820.04620.0644-0.0740.077-0.1122-0.02140.0542-00.29670.05710.00020.2930.07760.2855-10.40081.289112.7108
80.08280.1150.12250.19980.27560.3783-0.0278-0.0630.35520.1137-0.0840.08730.0854-0.2398-0.05880.34160.14170.04450.27110.03070.3887-23.12314.910624.9354
90.00580.0039-0.0042-0.003-0.00170.00130.1045-0.11320.17930.16640.00190.13280.1022-0.336700.4906-0.02260.11690.503-0.0710.4093-28.85650.174131.7363
100.1297-0.0303-0.00980.0438-0.07450.1611-0.02660.17490.29750.1030.07440.20860.1709-0.18630.0770.24420.0754-0.01510.28090.0670.3013-20.61861.481418.5446
110.002-0.004700.0057-0.00050.0005-0.1388-0.0233-0.1202-0.1426-0.05980.2043-0.0282-0.133-00.2842-0.0038-0.0120.33170.0110.340225.0828-19.260239.3988
120.00330.00410.00280.01120.0160.0146-0.1482-0.3063-0.21760.14130.07010.0795-0.0101-0.064900.2614-0.01560.00910.47670.01070.26930.8632-10.601947.6836
130.00290.02150.00620.04480.00630.0003-0.049-0.3132-0.16640.07790.04680.0887-0.13640.149100.34-0.05410.0250.4799-0.08880.283131.1873-6.225645.5572
140.0574-0.0211-0.01540.24210.04320.04170.0765-0.39470.16280.0317-0.0121-0.0076-0.04420.23510.07020.2553-0.0374-0.02860.4507-0.1460.307631.0705-2.707845.6165
150.00880.03110.02080.10840.01950.210.0608-0.26360.2814-0.01510.01560.1832-0.0927-0.12320.0390.2491-0.0150.00610.368-0.13970.292826.4761-0.308546.8151
160.0055-0.00380.00370.00530.00250.00220.0723-0.3146-0.1125-0.0747-0.1099-0.1536-0.08070.1839-00.2546-0.0048-0.00680.32740.02230.221634.9139-9.142439.8646
170.0420.01750.02920.05420.00680.0438-0.0928-0.1141-0.12590.2218-0.1266-0.04110.0655-0.0091-0.06780.3871-0.0660.08350.43280.15040.353229.2617-24.415646.5078
180.00670.00210.0058-0.00020.0033-0.0006-0.14320.0106-0.0393-0.0059-0.14910.0383-0.0149-0.089400.5194-0.0257-0.05290.6281-0.32760.68731.3976-29.817623.6912
190.0154-0.0212-0.01370.02250.0170.0103-0.05730.0264-0.3662-0.01870.0289-0.12140.096-0.017-0.00820.4470.10090.0520.24090.04960.489641.1494-28.587730.6825
200.02810.0130.05430.00490.02330.0931-0.2012-0.192-0.04690.019-0.01270.0002-0.1420.32820.00540.37070.114-0.03390.3470.06760.341346.2236-16.675436.4114
210.2941-0.2373-0.2380.31970.30260.2706-0.1622-0.1459-0.22260.1163-0.03890.1570.18560.1914-0.13930.26770.08850.01390.38630.15190.348342.1628-20.995338.8603
220.0157-0.00040.00890.01030.00650.0084-0.0267-0.0123-0.0994-0.07360.0042-0.0019-0.0445-0.0706-00.33060.0594-0.01790.2536-0.00640.327432.2446-18.734329.7444
230.0114-0.0157-0.01590.00450.01050.0137-0.0976-0.1895-0.13960.07780.0741-0.0709-0.01010.312200.31790.0765-0.01440.44820.08910.366643.9019-17.915743.1622
240.058-0.0577-0.00810.0950.07230.063-0.087-0.2476-0.20960.26650.0568-0.1016-0.25490.50850.04660.28360.0367-0.06280.58340.08580.265644.8767-13.736344.7374
250.4356-0.06360.41420.1747-0.00050.4184-0.2636-0.0759-0.0783-0.158-0.0734-0.1630.0050.1976-0.07340.2690.12150.12060.31950.04460.331745.742-18.120332.3478
260.02670.0081-0.0120.02250.02980.02750.07470.13550.0611-0.0189-0.1182-0.1203-0.01160.0227-0.0450.05780.45560.58871.0672-0.1443-0.5951-2.3531-30.74533.5033
270.0159-0.01140.0035-0.0028-0.0070.00610.06930.32180.0105-0.1967-0.22120.1471-0.05560.187100.25740.0793-0.0170.3173-0.06310.2139-15.2402-30.72688.2258
280.0899-0.05430.0630.2652-0.00720.0260.15770.24160.26550.1077-0.21350.02490.04070.1963-0.00080.22220.04010.02270.39870.01810.2266-14.2499-23.49269.4879
290.0749-0.04070.04630.0527-0.04090.0180.25340.0527-0.2479-0.1844-0.18640.21640.28410.072-0.00210.2712-0.0368-0.00110.3604-0.00030.2468-24.6269-28.49589.1975
300.0184-0.01980.03390.0167-0.02490.01780.11160.40520.0576-0.0585-0.0612-0.13510.0209-0.021200.23110.0519-0.00030.34130.02290.2205-13.9987-24.42589.2074
310.01610.0031-0.00740.01020.01310.0074-0.26270.2093-0.036-0.30010.02-0.0123-0.01730.0856-0.00140.3375-0.0114-0.09540.4138-0.06820.319431.38422.22512.9957
320.0958-0.0547-0.03790.06350.00430.020.07380.01250.06060.01850.31960.009-0.12030.077100.2979-0.07130.00810.3165-0.04220.251844.213.040113.8342
330.0439-0.04680.0150.0343-0.00790.0209-0.00190.10320.0957-0.090.07710.07270.0052-0.034600.2608-0.0685-0.0130.3187-0.02420.255539.8143-3.611610.1991
340.0441-0.00860.01190.0311-0.03210.01440.00390.21570.1067-0.17160.0059-0.0597-0.15720.064900.2724-0.06580.00970.3066-0.04920.287452.1082-0.06610.8457
350.0487-0.0079-0.01330.03190.0260.0023-0.07420.22140.02410.00050.12270.026-0.1252-0.009200.3195-0.05420.00040.2572-0.01940.252541.4316-0.497511.9683
360.26560.01750.05880.25990.3310.4624-0.32540.17750.1523-0.1041-0.2006-0.073-0.21720.1403-0.44730.2270.05640.04420.47910.16620.188-19.8574-14.2016-0.1617
37-0.0021-0.02140.05320.17490.05110.077-0.01560.10.1028-0.2006-0.06680.09250.02720.103400.31850.0797-0.01950.410.07030.3048-24.2986-8.87047.8921
380.12050.01140.00720.22750.0020.0942-0.13080.26340.067-0.0117-0.10450.181-0.0363-0.0817-0.04940.2190.09120.00480.32890.02450.2524-26.2969-11.217410.1493
390.03950.00710.00640.01930.01330.028-0.09460.2151-0.0524-0.1632-0.04560.1824-0.0058-0.23820.00660.3693-0.06620.01090.3106-0.15430.277739.5871-15.51677.1623
400.0899-0.04630.14060.025-0.07640.2349-0.27680.1271-0.1317-0.0661-0.1418-0.0501-0.0368-0.1229-0.26280.35180.06090.07010.1691-0.09720.266849.9995-15.917515.8952
410.0036-0.0050.00930.0745-0.11420.1483-0.11220.0841-0.21980.0406-0.1245-0.1549-0.04050.1031-0.01480.34880.05730.05630.2359-0.02940.372849.3554-14.707321.1198
420.02040.0066-0.01970.0314-0.09430.1454-0.3513-0.1305-0.0430.00490.1095-0.20540.22520.1955-0.00870.30020.0993-0.00260.3553-0.01890.454750.7718-16.328822.5321
430.11220.14510.11660.18010.11740.0975-0.2801-0.1131-0.1363-0.10390.0117-0.08020.2150.2274-0.05470.29950.09010.06970.22320.00610.263248.3603-14.919221.0199
440.0034-0.00290.00120.001-0.00090.00120.0696-0.01690.0457-0.06570.0816-0.1481-0.04790.0642-00.27620.0355-0.02730.4564-0.01730.4679.2023-27.975120.9856
450.01810.01160.04460.00390.0150.05510.12410.03860.10660.1878-0.1737-0.18820.20760.2199-00.33760.0715-0.00270.25170.0030.3035-3.1332-31.421823.3527
460.1590.12910.04180.22070.11480.080.19970.0971-0.07410.1539-0.07030.20180.31480.1328-0.00010.37470.0784-0.02020.23350.02140.2399-3.1495-33.271820.1699
470.00340.0043-0.00420.0056-0.00360.0107-0.01530.04190.0458-0.0108-0.03650.0102-0.0556-0.006500.3360.06160.07280.74710.29110.6231.7278-21.754713.4603
480.00650.01710.0010.0149-0.0109-0.00260.26660.2001-0.30940.1274-0.04180.24990.32990.199400.44440.1093-0.01630.2302-0.00940.3655-5.7237-36.386718.0512
490.0251-0.02810.02390.0365-0.02430.02390.0926-0.0231-0.004-0.02110.05170.02280.0219-0.06530.00770.5802-0.16520.12270.3660.11950.9525-17.52-38.758926.8941
50-0.00250.0036-0.00130.0011-0.0001-0.00020.06610.0422-0.14380.0264-0.01180.16480.0666-0.01950.03440.71080.0137-0.1626-0.0011-0.08970.571-11.5219-40.574618.552
510.012-0.00580.0140.0062-0.00380.0034-0.03970.18870.22260.0552-0.11270.06550.11220.1485-00.28970.0846-0.0370.27960.01670.2525-5.5108-29.55113.2578
520.02140.02520.02720.01710.01080.00330.07750.03050.08740.2526-0.04140.22830.17040.081-00.3556-0.0055-0.05560.2991-0.00420.2723-1.5621-28.956425.6542
530.0039-0.0023-0.00210.00040.00380.001-0.00610.0048-0.0556-0.0873-0.0860.1628-0.0792-0.055400.43520.1486-0.02360.46530.10930.929821.189213.761716.0535
540.0048-0.0048-0.00560.00580.00970.01460.0834-0.1324-0.01860.01140.0103-0.1076-0.07530.1275-00.4943-0.0220.09690.2540.0220.334135.368713.844421.1686
550.0506-0.0037-0.0302-0.0030.0230.05430.26930.1330.24520.0863-0.08250.079-0.4219-0.10340.01260.44070.0457-0.00410.20010.02450.501232.584713.873515.4113
560.0142-0.0123-0.00830.01720.01430.00950.0317-0.0312-0.06690.0289-0.0990.12130.0084-0.27600.35640.027-0.00420.4579-0.00450.450127.91825.145313.718
570.2292-0.04990.10640.061-0.05060.08040.1106-0.00280.0231-0.0319-0.03850.016-0.09580.04670.01820.528-0.11710.03460.24190.09450.604742.555419.094515.474
580.00070.00170.00120.0076-0.00560.00350.22360.04890.2022-0.0920.0863-0.0752-0.08570.0545-00.649-0.04490.08240.34620.09190.444240.343316.23359.5326
590.04770.0128-0.0308-0.0003-0.00810.0115-0.0339-0.02220.18550.1555-0.13050.2644-0.33890.2309-00.40650.0290.0640.2248-0.00940.455331.508511.351919.8602
600.00230.00160.00090.06330.0036-0.00290.26550.03340.07660.07130.12870.1778-0.0032-0.16660.15590.38610.07090.20880.07440.1710.800518.393213.588826.4254
610.0147-0.02020.03110.4498-0.55890.7260.38270.06260.24710.23720.28420.2526-0.434-0.31250.35080.4410.02640.22420.2424-0.06740.678719.350215.350939.4622
620.101-0.1575-0.15650.65390.06680.55660.2503-0.4260.8086-0.23510.2554-0.3518-0.28320.51950.57060.383-0.09510.1740.1304-0.18620.572925.852711.668138.3416
630.04370.03790.01980.03640.00130.0099-0.02020.11730.1267-0.08320.23940.120.0193-0.09040.00010.2311-0.00780.03720.283-0.04850.313316.86311.487138.7542
640.0068-0.00730.00910.0033-0.00580.01090.06870.03670.08290.07090.15680.070.07120.0951-0.00010.3377-0.0497-0.05240.2831-0.01120.28222.7889-25.478528.2384
650.00770.0018-0.00750.00040.00290.00630.21550.14940.0288-0.17540.1805-0.0631-0.16180.114500.34480.0778-0.06560.5014-0.06790.40315.5651-22.089228.3172
660.0044-0.00160.00250.003-0.00280.0018-0.0039-0.09190.05950.03310.0361-0.1045-0.07420.03100.296-0.03390.00310.273-0.02790.359415.3393-12.595633.5168
670.00040.00450.00940.0330.01240.0291-0.0421-0.08360.02150.32350.1025-0.01440.0641-0.01810.01020.2894-0.0133-0.05480.47530.08340.2424.5045-18.462643.9207
680.1076-0.0148-0.0271.05290.85590.73120.0812-0.0921-0.2838-0.11770.3511-0.11040.15550.09870.30830.23220.0036-0.06890.23540.05330.23258.4523-19.54535.9859
690.0658-0.0450.01190.0931-0.04220.0206-0.0209-0.072-0.02340.03790.03720.0410.05560.02430.02090.58140.0951-0.29250.15740.22230.59668.8614-29.495540.3403
700.0481-0.02750.02350.1352-0.00360.00240.055-0.2853-0.1832-0.10050.04670.10630.0314-0.09060.00010.2335-0.00510.00040.29230.030.23511.1524-11.137338.5307
710.00770.0083-0.0030.0032-0.00780.00740.1937-0.0048-0.20640.1811-0.19450.22470.3428-0.317800.4829-0.1276-0.07070.52910.0350.4575-6.1815-23.777435.4055
720.0491-0.0121-0.03050.1230.00220.0232-0.0332-0.0615-0.14550.05970.1125-0.2910.11260.07240.00340.2474-0.0208-0.04610.43220.03990.24363.2558-13.906443.1316
730.0305-0.0093-0.02010.0647-0.03490.01830.135-0.0868-0.0167-0.1751-0.0685-0.07740.05660.10120.00140.2078-0.0061-0.00490.2121-0.00730.22458.0581-6.642633.1633
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resseq 1001:1019)
2X-RAY DIFFRACTION2chain 'A' and (resseq 1020:1061)
3X-RAY DIFFRACTION3chain 'A' and (resseq 1062:1082)
4X-RAY DIFFRACTION4chain 'B' and (resseq 2022:2037)
5X-RAY DIFFRACTION5chain 'B' and (resseq 2038:2049)
6X-RAY DIFFRACTION6chain 'B' and (resseq 2050:2059)
7X-RAY DIFFRACTION7chain 'B' and (resseq 2060:2064)
8X-RAY DIFFRACTION8chain 'B' and (resseq 2065:2074)
9X-RAY DIFFRACTION9chain 'B' and (resseq 2075:2096)
10X-RAY DIFFRACTION10chain 'B' and (resseq 2097:2114)
11X-RAY DIFFRACTION11chain 'C' and (resseq 1002:1010)
12X-RAY DIFFRACTION12chain 'C' and (resseq 1011:1019)
13X-RAY DIFFRACTION13chain 'C' and (resseq 1020:1032)
14X-RAY DIFFRACTION14chain 'C' and (resseq 1033:1052)
15X-RAY DIFFRACTION15chain 'C' and (resseq 1053:1061)
16X-RAY DIFFRACTION16chain 'C' and (resseq 1062:1069)
17X-RAY DIFFRACTION17chain 'C' and (resseq 1070:1082)
18X-RAY DIFFRACTION18chain 'D' and (resseq 2016:2026)
19X-RAY DIFFRACTION19chain 'D' and (resseq 2027:2038)
20X-RAY DIFFRACTION20chain 'D' and (resseq 2039:2049)
21X-RAY DIFFRACTION21chain 'D' and (resseq 2050:2059)
22X-RAY DIFFRACTION22chain 'D' and (resseq 2060:2064)
23X-RAY DIFFRACTION23chain 'D' and (resseq 2065:2074)
24X-RAY DIFFRACTION24chain 'D' and (resseq 2075:2102)
25X-RAY DIFFRACTION25chain 'D' and (resseq 2103:2113)
26X-RAY DIFFRACTION26chain 'E' and (resseq 3013:3027)
27X-RAY DIFFRACTION27chain 'E' and (resseq 3028:3035)
28X-RAY DIFFRACTION28chain 'E' and (resseq 3036:3055)
29X-RAY DIFFRACTION29chain 'E' and (resseq 3056:3075)
30X-RAY DIFFRACTION30chain 'E' and (resseq 3076:3090)
31X-RAY DIFFRACTION31chain 'H' and (resseq 3014:3027)
32X-RAY DIFFRACTION32chain 'H' and (resseq 3028:3040)
33X-RAY DIFFRACTION33chain 'H' and (resseq 3041:3055)
34X-RAY DIFFRACTION34chain 'H' and (resseq 3056:3075)
35X-RAY DIFFRACTION35chain 'H' and (resseq 3076:3091)
36X-RAY DIFFRACTION36chain 'F' and (resseq 4004:4023)
37X-RAY DIFFRACTION37chain 'F' and (resseq 4024:4050)
38X-RAY DIFFRACTION38chain 'F' and (resseq 4051:4076)
39X-RAY DIFFRACTION39chain 'I' and (resseq 4003:4014)
40X-RAY DIFFRACTION40chain 'I' and (resseq 4015:4023)
41X-RAY DIFFRACTION41chain 'I' and (resseq 4024:4036)
42X-RAY DIFFRACTION42chain 'I' and (resseq 4037:4056)
43X-RAY DIFFRACTION43chain 'I' and (resseq 4057:4076)
44X-RAY DIFFRACTION44chain 'G' and (resseq 5007:5012)
45X-RAY DIFFRACTION45chain 'G' and (resseq 5013:5024)
46X-RAY DIFFRACTION46chain 'G' and (resseq 5025:5034)
47X-RAY DIFFRACTION47chain 'G' and (resseq 5035:5039)
48X-RAY DIFFRACTION48chain 'G' and (resseq 5040:5048)
49X-RAY DIFFRACTION49chain 'G' and (resseq 5049:5053)
50X-RAY DIFFRACTION50chain 'G' and (resseq 5054:5058)
51X-RAY DIFFRACTION51chain 'G' and (resseq 5059:5063)
52X-RAY DIFFRACTION52chain 'G' and (resseq 5064:5074)
53X-RAY DIFFRACTION53chain 'J' and (resseq 5008:5015)
54X-RAY DIFFRACTION54chain 'J' and (resseq 5016:5024)
55X-RAY DIFFRACTION55chain 'J' and (resseq 5025:5034)
56X-RAY DIFFRACTION56chain 'J' and (resseq 5035:5043)
57X-RAY DIFFRACTION57chain 'J' and (resseq 5044:5053)
58X-RAY DIFFRACTION58chain 'J' and (resseq 5054:5059)
59X-RAY DIFFRACTION59chain 'J' and (resseq 5060:5074)
60X-RAY DIFFRACTION60chain 'Q' and (resseq 6001:6013)
61X-RAY DIFFRACTION61chain 'Q' and (resseq 6014:6038)
62X-RAY DIFFRACTION62chain 'Q' and (resseq 6039:6142)
63X-RAY DIFFRACTION63chain 'Q' and (resseq 6143:6162)
64X-RAY DIFFRACTION64chain 'P' and (resseq 6001:6005)
65X-RAY DIFFRACTION65chain 'P' and (resseq 6006:6013)
66X-RAY DIFFRACTION66chain 'P' and (resseq 6014:6018)
67X-RAY DIFFRACTION67chain 'P' and (resseq 6019:6027)
68X-RAY DIFFRACTION68chain 'P' and (resseq 6028:6046)
69X-RAY DIFFRACTION69chain 'P' and (resseq 6047:6051)
70X-RAY DIFFRACTION70chain 'P' and (resseq 6052:6077)
71X-RAY DIFFRACTION71chain 'P' and (resseq 6078:6133)
72X-RAY DIFFRACTION72chain 'P' and (resseq 6134:6142)
73X-RAY DIFFRACTION73chain 'P' and (resseq 6143:6160)

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