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- PDB-3szm: STRUCTURE OF HUMAN MICROCEPHALIN (MCPH1) TANDEM BRCT DOMAINS IN C... -

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Basic information

Entry
Database: PDB / ID: 3szm
TitleSTRUCTURE OF HUMAN MICROCEPHALIN (MCPH1) TANDEM BRCT DOMAINS IN COMPLEX WITH A GAMMA-H2AX PHOSPHOPEPTIDE
Components
  • Histone H2A.x
  • Microcephalin
KeywordsCELL CYCLE/Peptide / DNA REPAIR / CELL CYCLE-Peptide complex
Function / homology
Function and homology information


regulation of chromosome condensation / neuronal stem cell population maintenance / regulation of centrosome cycle / XY body / chromatin-protein adaptor activity / protein localization to site of double-strand break / protein localization to centrosome / response to ionizing radiation / establishment of mitotic spindle orientation / site of DNA damage ...regulation of chromosome condensation / neuronal stem cell population maintenance / regulation of centrosome cycle / XY body / chromatin-protein adaptor activity / protein localization to site of double-strand break / protein localization to centrosome / response to ionizing radiation / establishment of mitotic spindle orientation / site of DNA damage / Replacement of protamines by nucleosomes in the male pronucleus / Packaging Of Telomere Ends / Recognition and association of DNA glycosylase with site containing an affected purine / Cleavage of the damaged purine / Deposition of new CENPA-containing nucleosomes at the centromere / Recognition and association of DNA glycosylase with site containing an affected pyrimidine / Cleavage of the damaged pyrimidine / RNA Polymerase I Promoter Opening / Inhibition of DNA recombination at telomere / Meiotic synapsis / Assembly of the ORC complex at the origin of replication / positive regulation of DNA repair / DNA damage checkpoint signaling / Regulation of endogenous retroelements by the Human Silencing Hub (HUSH) complex / DNA methylation / Condensation of Prophase Chromosomes / replication fork / Chromatin modifications during the maternal to zygotic transition (MZT) / SIRT1 negatively regulates rRNA expression / condensed nuclear chromosome / ERCC6 (CSB) and EHMT2 (G9a) positively regulate rRNA expression / PRC2 methylates histones and DNA / Regulation of endogenous retroelements by KRAB-ZFP proteins / Defective pyroptosis / meiotic cell cycle / male germ cell nucleus / Regulation of endogenous retroelements by Piwi-interacting RNAs (piRNAs) / Nonhomologous End-Joining (NHEJ) / RNA Polymerase I Promoter Escape / Transcriptional regulation by small RNAs / Formation of the beta-catenin:TCF transactivating complex / Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3 / double-strand break repair via homologous recombination / RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function / bone development / G2/M DNA damage checkpoint / cerebral cortex development / NoRC negatively regulates rRNA expression / B-WICH complex positively regulates rRNA expression / DNA Damage/Telomere Stress Induced Senescence / Meiotic recombination / Pre-NOTCH Transcription and Translation / RMTs methylate histone arginines / Activation of anterior HOX genes in hindbrain development during early embryogenesis / Transcriptional regulation of granulopoiesis / structural constituent of chromatin / nucleosome / heterochromatin formation / double-strand break repair / mitotic cell cycle / nucleosome assembly / Recruitment and ATM-mediated phosphorylation of repair and signaling proteins at DNA double strand breaks / site of double-strand break / RUNX1 regulates transcription of genes involved in differentiation of HSCs / MLL4 and MLL3 complexes regulate expression of PPARG target genes in adipogenesis and hepatic steatosis / Processing of DNA double-strand break ends / regulation of inflammatory response / Senescence-Associated Secretory Phenotype (SASP) / spermatogenesis / Oxidative Stress Induced Senescence / histone binding / Estrogen-dependent gene expression / damaged DNA binding / nuclear speck / Amyloid fiber formation / protein heterodimerization activity / DNA damage response / centrosome / enzyme binding / negative regulation of transcription by RNA polymerase II / DNA binding / extracellular exosome / nucleoplasm / identical protein binding / nucleus / cytoplasm
Similarity search - Function
Microcephalin-like / Microcephalin, mammal / Microcephalin protein / twin BRCT domain / BRCT domain / BRCT domain / breast cancer carboxy-terminal domain / BRCT domain profile. / BRCT domain / BRCT domain superfamily ...Microcephalin-like / Microcephalin, mammal / Microcephalin protein / twin BRCT domain / BRCT domain / BRCT domain / breast cancer carboxy-terminal domain / BRCT domain profile. / BRCT domain / BRCT domain superfamily / Histone H2A conserved site / Histone H2A signature. / Histone H2A, C-terminal domain / C-terminus of histone H2A / Histone 2A / Histone H2A / Histone H2A/H2B/H3 / Core histone H2A/H2B/H3/H4 domain / Histone-fold / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta
Similarity search - Domain/homology
Histone H2AX / Microcephalin
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.63 Å
AuthorsSingh, N. / Thompson, J.R. / Mer, G.
CitationJournal: Proc.Natl.Acad.Sci.USA / Year: 2012
Title: Dual recognition of phosphoserine and phosphotyrosine in histone variant H2A.X by DNA damage response protein MCPH1.
Authors: Singh, N. / Basnet, H. / Wiltshire, T.D. / Mohammad, D.H. / Thompson, J.R. / Heroux, A. / Botuyan, M.V. / Yaffe, M.B. / Couch, F.J. / Rosenfeld, M.G. / Mer, G.
History
DepositionJul 19, 2011Deposition site: RCSB / Processing site: RCSB
Revision 1.0Nov 30, 2011Provider: repository / Type: Initial release
Revision 1.1Aug 29, 2012Group: Database references
Revision 1.2Sep 19, 2012Group: Database references
Revision 1.3Nov 6, 2024Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Structure summary
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details / pdbx_modification_feature / struct_conn / struct_ref_seq_dif
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_leaving_atom_flag / _struct_ref_seq_dif.details

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Microcephalin
B: Microcephalin
C: Microcephalin
D: Microcephalin
E: Microcephalin
F: Microcephalin
G: Microcephalin
H: Microcephalin
I: Histone H2A.x
J: Histone H2A.x
K: Histone H2A.x
L: Histone H2A.x
M: Histone H2A.x
N: Histone H2A.x
O: Histone H2A.x
P: Histone H2A.x


Theoretical massNumber of molelcules
Total (without water)185,47816
Polymers185,47816
Non-polymers00
Water7,062392
1
A: Microcephalin
I: Histone H2A.x


Theoretical massNumber of molelcules
Total (without water)23,1852
Polymers23,1852
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area680 Å2
ΔGint-6 kcal/mol
Surface area10390 Å2
MethodPISA
2
B: Microcephalin
J: Histone H2A.x


Theoretical massNumber of molelcules
Total (without water)23,1852
Polymers23,1852
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area660 Å2
ΔGint-7 kcal/mol
Surface area10290 Å2
MethodPISA
3
C: Microcephalin
K: Histone H2A.x


Theoretical massNumber of molelcules
Total (without water)23,1852
Polymers23,1852
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area680 Å2
ΔGint-7 kcal/mol
Surface area10700 Å2
MethodPISA
4
D: Microcephalin
L: Histone H2A.x


Theoretical massNumber of molelcules
Total (without water)23,1852
Polymers23,1852
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area650 Å2
ΔGint-7 kcal/mol
Surface area10510 Å2
MethodPISA
5
E: Microcephalin
M: Histone H2A.x


Theoretical massNumber of molelcules
Total (without water)23,1852
Polymers23,1852
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area700 Å2
ΔGint-5 kcal/mol
Surface area10370 Å2
MethodPISA
6
F: Microcephalin
N: Histone H2A.x


Theoretical massNumber of molelcules
Total (without water)23,1852
Polymers23,1852
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area660 Å2
ΔGint-7 kcal/mol
Surface area10520 Å2
MethodPISA
7
G: Microcephalin
O: Histone H2A.x


Theoretical massNumber of molelcules
Total (without water)23,1852
Polymers23,1852
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area660 Å2
ΔGint-6 kcal/mol
Surface area10760 Å2
MethodPISA
8
H: Microcephalin
P: Histone H2A.x


Theoretical massNumber of molelcules
Total (without water)23,1852
Polymers23,1852
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area700 Å2
ΔGint-6 kcal/mol
Surface area10440 Å2
MethodPISA
Unit cell
Length a, b, c (Å)67.810, 82.230, 104.420
Angle α, β, γ (deg.)72.10, 89.87, 80.94
Int Tables number1
Space group name H-MP1

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Components

#1: Protein
Microcephalin


Mass: 21949.551 Da / Num. of mol.: 8 / Fragment: C-TERMINAL TANDEM BRCT DOMAINS, RESIDUES 640-835
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: MCPH1 / Plasmid: PTEV / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 ROSETTA (DE3) / References: UniProt: Q8NEM0
#2: Protein/peptide
Histone H2A.x / H2a/x


Mass: 1235.236 Da / Num. of mol.: 8 / Fragment: C-TERMINAL FRAGMENT, RESIDUES 134-143 / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human) / References: UniProt: P16104
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 392 / 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

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Sample preparation

CrystalDensity Matthews: 2.95 Å3/Da / Density % sol: 58.25 %
Crystal growMethod: vapor diffusion, hanging drop / pH: 4.8
Details: 20% PEG 4000, 0.1M (NH4)H2PO4, 0.1M BIS-TRIS-PROPANE , PH 4.8, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 295K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 1.0079 / Wavelength: 1.0079 Å
DetectorDetector: CCD / Date: Feb 15, 2007
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.0079 Å / Relative weight: 1
ReflectionResolution: 2.63→50 Å / Num. obs: 59208 / % possible obs: 90.2 % / Redundancy: 2.6 % / Rmerge(I) obs: 0.064 / Net I/σ(I): 13.57
Reflection shellResolution: 2.63→2.74 Å / Redundancy: 2.6 % / Rmerge(I) obs: 0.471 / Mean I/σ(I) obs: 2 / % possible all: 97.8

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Processing

Software
NameVersionClassification
HKL-2000data collection
DMmodel building
PHENIX(PHENIX.REFINE: 1.6.1_357)refinement
HKL-2000data reduction
HKL-2000data scaling
DMphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.63→31.37 Å / SU ML: 0.4 / σ(F): 1.96 / Phase error: 26.08 / Stereochemistry target values: ML / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
RfactorNum. reflection% reflection
Rfree0.252 572 1.01 %
Rwork0.201 --
obs0.202 56418 89.7 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 47.43 Å2 / ksol: 0.38 e/Å3
Displacement parameters
Baniso -1Baniso -2Baniso -3
1-1.2894 Å21.4388 Å20.4417 Å2
2--0.9267 Å20.0837 Å2
3----2.216 Å2
Refinement stepCycle: LAST / Resolution: 2.63→31.37 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms12173 0 0 392 12565
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00912578
X-RAY DIFFRACTIONf_angle_d1.04617169
X-RAY DIFFRACTIONf_dihedral_angle_d10.8044620
X-RAY DIFFRACTIONf_chiral_restr0.0531957
X-RAY DIFFRACTIONf_plane_restr0.0062140
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.63-2.89450.32641630.279714911X-RAY DIFFRACTION96
2.8945-3.31290.28161500.229315311X-RAY DIFFRACTION98
3.3129-4.17240.22821110.188110325X-RAY DIFFRACTION66
4.1724-31.36780.22131480.170715299X-RAY DIFFRACTION98
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)
11.27621.3202-0.40371.5836-0.98020.9210.07020.87530.2244-0.04270.2816-0.17490.04-0.7845-0.29420.40020.02010.09680.6707-0.00940.305913.187512.841775.1003
21.2713-0.04721.18371.51020.18441.06370.09640.53850.2079-0.29370.20630.24980.0144-0.7531-0.19050.3720.0230.070.79340.18310.393412.353318.829475.8766
31.30210.4459-1.74810.5614-1.31981.47090.6003-0.0054-0.07560.2977-0.3206-0.0894-0.1938-0.1275-0.19030.3954-0.05120.16220.34930.00370.1617.697117.259184.3016
41.07731.6298-0.30992.780.59593.48661.12540.23610.6983-0.0771-0.36590.9328-1.1030.2861-0.97760.6659-0.0130.50360.1478-0.00640.628420.905231.591285.7281
51.92920.29370.09910.20980.08280.00560.9813-0.16410.96990.6131-0.3067-0.4308-0.23250.2965-0.42740.8264-0.04640.46820.1272-0.0140.408134.983436.190276.4016
66.1936-0.59040.18772.62141.5110.98740.53160.50410.06910.4824-0.47320.2742-0.04760.2956-0.2070.40760.03710.13080.27730.05490.266936.081924.532865.5095
75.2222-0.1999-2.81830.1433-0.50996.17450.71090.42030.4769-0.42020.23910.4783-1.0617-0.5499-1.02640.39540.15450.32280.21510.09420.352829.786730.554471.9443
80.58390.37740.75160.21420.19040.9459-0.04120.15960.52530.69810.140.8174-0.5058-0.1711-0.21090.56650.07460.24230.19260.07590.549842.512934.178466.4205
91.004-0.84580.010.84520.10890.43040.4570.03950.26480.6147-0.068-0.46230.1297-0.0519-0.15370.4663-0.08180.08860.2461-0.01210.56341.884628.392576.1008
103.51870.0112-2.43886.82960.70169.57450.3188-0.3589-0.4719-0.0032-1.18870.9385-0.86191.10660.46530.4799-0.1868-0.08080.18480.19150.218745.932725.94779.5705
111.47351.1679-0.86791.4205-0.5331.9567-0.08060.2957-0.975-0.2041.0083-0.15170.5968-0.4116-0.57990.38140.0131-0.15130.3214-0.2150.350211.24662.039131.3571
123.58151.3646-0.38642.7494-0.0691.2317-0.13120.1862-0.8599-0.47680.449-0.79220.69930.3244-0.43420.45570.1956-0.15270.3078-0.22030.493915.793659.075633.5103
132.22970.91171.24060.94781.22930.90120.65180.02260.03690.3791-0.12130.03580.70560.1756-0.41580.4971-0.0643-0.15720.3257-0.0290.32978.656565.302339.8286
141.05360.6330.21970.8168-0.46132.78541.6824-0.76780.3519-0.8689-0.5318-0.11750.7474-0.2542-0.42710.4562-0.3534-0.39110.34970.08690.05623.42855.657948.9648
151.1857-0.4226-0.9443.3343-2.09172.5360.635-0.5389-0.45350.72160.37010.14610.1159-0.007-0.49921.0369-0.4387-0.42270.57720.42610.495-11.019145.999545.1358
161.4955-0.01240.33250.62420.34020.27191.2531-0.1767-1.2308-0.3487-0.1260.1180.5776-0.3749-0.61260.8457-0.2168-0.5110.15190.03510.5347-10.310648.497429.767
170.07270.09820.2050.56370.84981.36610.33150.2733-0.7317-0.7230.0325-0.16391.7722-0.4576-1.00731.1493-0.1599-0.67620.13320.13830.5874-4.023747.485638.7802
181.7215-1.07460.4510.80150.03943.09790.1444-0.0327-0.7917-0.2018-0.16950.46011.4381-0.3662-0.48991.261-0.3228-0.59640.19340.30170.6808-15.943539.322538.4918
191.28030.98720.64170.86540.5190.35540.3264-0.51290.63170.9412-0.6508-0.3039-0.816-0.1967-0.01070.7413-0.2535-0.44030.36060.23680.44-21.586345.405931.4855
201.94550.9663-0.09190.5998-0.04060.31540.924-0.1351-0.28940.0765-0.0599-0.22190.170.1483-0.39190.624-0.2714-0.14250.22450.24790.25-17.209353.722541.1123
210.498-0.3939-0.74961.6834-0.73221.0998-0.12160.0777-0.04730.42990.27780.0977-0.3109-0.2702-0.17810.20680.10140.00550.4424-0.04990.35049.59973.842518.2814
220.46930.6373-0.22181.2125-0.15520.7296-0.82010.44010.1117-0.20270.87980.4145-0.2732-0.4713-0.17260.03260.0320.08640.6429-0.15870.24673.0909-3.81720.6899
230.8374-0.95820.83251.99660.04841.8056-0.29940.85050.0278-0.0770.3093-0.25850.1780.57420.00690.16440.13740.00490.45870.02550.434912.98335.91214.6626
241.63840.1097-0.94921.8513-0.04151.2377-0.02330.00460.24420.1393-0.0087-0.20280.01940.00080.01380.21540.037-0.02640.4281-0.08650.248711.81353.121226.4742
250.6706-0.53150.44521.9411-0.65690.9969-0.0442-0.35890.57670.4861-0.214-0.2254-0.24130.161-0.02970.28280.03370.00080.5564-0.11460.322511.40415.224133.157
264.56291.2293-2.72382.39081.25324.32581.1781-0.47430.8642-0.4898-0.4399-0.0156-0.59010.2082-0.54750.36960.17180.19220.256-0.12520.423815.228918.021728.4811
270.02380.1193-0.0382.0086-0.84791.08140.5116-0.03520.87650.13680.0506-0.771-0.62460.0343-0.31210.6048-0.03530.1920.3332-0.0450.807529.947621.585722.8783
283.3026-1.1681-1.47651.07041.38241.91850.2353-0.54240.352-0.52670.23190.1388-0.02490.1187-0.29510.1564-0.05090.1060.22550.05010.420930.590711.223815.6738
292.9201-1.2316-0.42091.26460.66260.30620.20570.12811.8195-1.08210.3016-0.0001-0.48780.1257-0.6520.6449-0.20720.13970.3492-0.07880.946440.955116.773314.3037
301.23130.8026-0.55111.76830.2391.33630.2469-0.9573-0.4273-0.04630.0745-0.7448-0.1680.7588-0.49840.2949-0.15730.02120.5323-0.14440.548838.116312.381126.3635
310.25130.6912-0.8853.2769-1.32573.08090.16730.205-0.23110.56180.1669-0.3676-0.46040.1349-0.22520.23540.1009-0.0210.2915-0.09250.2422.92737.374755.4328
321.4905-2.0520.38542.1939-0.1792.34180.29780.29880.1446-0.0015-0.1664-0.3557-0.29160.1252-0.14150.32070.040.02220.3597-0.09290.3754-0.93458.819547.886
333.7855-1.5287-0.11051.93190.79870.4980.81271.1871-0.2945-0.4536-0.6886-0.14360.0901-0.3461-0.12580.3160.2814-0.06870.374-0.03710.221-9.3499.057239.7251
340.6162-0.7031.04085.129-1.52241.7488-0.4478-0.86010.2315-0.36040.0061-0.0596-0.73070.0860.17631.0930.40370.640.61070.29510.547-3.135122.501635.9327
350.66120.1335-0.46361.27150.85660.9626-0.11141.51170.2151-1.32640.6062-0.464-1.4135-0.081-0.28060.51550.7660.17810.00250.31840.2211-19.827426.99547.8435
362.41120.5208-0.78070.134-0.47733.9350.3888-0.03790.97260.08110.1280.3339-0.9661-0.1143-0.75330.59830.17750.20840.30450.11420.3885-13.154225.453948.0714
377.41883.4914-0.72612.9828-1.21757.3208-0.402-0.24910.7368-0.89480.0276-0.2738-1.10660.57560.18771.33260.57140.29780.34150.2540.5215-19.463335.032849.094
380.67230.3438-0.79440.330.02360.930.2490.17490.1939-0.796-0.08450.1839-0.6015-0.7386-0.07660.96230.73360.04450.73840.14880.2482-30.312432.082949.8074
393.2107-2.5382-1.54872.8582.39112.61540.58780.6885-0.2339-0.2417-0.7178-0.0923-0.8597-0.81630.0830.36830.35920.04810.52480.02620.348-22.285118.845545.5972
401.7151-1.23561.645.89020.61912.2916-0.2679-0.2889-0.2477-0.9137-0.51710.4651-0.3074-0.72750.28330.5010.4283-0.10070.8298-0.01060.4572-29.22519.057143.4276
411.65391.21150.30132.4720.09130.13810.7635-0.8017-0.22890.7527-0.5664-0.03570.296-0.8707-0.17570.428-0.2081-0.08430.58350.04660.226324.021756.648411.5059
420.89310.27570.86921.37870.72161.40730.6488-0.3722-0.2910.8446-0.0376-0.13510.3603-0.4994-0.24750.6586-0.233-0.15790.51760.1410.342727.132550.474511.0795
430.91990.9029-0.30721.6541.06021.42070.5009-0.1825-0.05360.6021-0.3155-0.2340.5545-0.8226-0.19410.4921-0.1468-0.11410.4343-0.0120.254725.403251.69341.5832
443.4281-0.72941.09060.72311.29523.66011.7070.6436-1.36560.4988-0.12190.80912.29020.1028-1.31981.37910.0318-0.72950.2555-0.16120.729132.697840.15481.8683
451.645-0.0808-1.11640.69510.44561.83560.6216-0.0864-1.58430.4346-0.10830.77871.58530.0239-0.73851.35550.0795-0.78320.3384-0.08621.241145.712234.729916.4504
462.5463-1.1053-0.7990.55510.2080.3862-0.71770.029-1.4721-0.03470.66930.51550.6036-0.3465-0.42651.2755-0.048-0.7820.32180.1671.077540.954536.331619.6129
471.84842.6877-4.24973.8407-6.16572.0104-2.1944-1.0742-1.01510.497-0.5923-0.09311.4524-0.16752.27761.25240.2320.02360.38980.05180.993550.717831.383421.7175
484.1759-0.3918-1.35050.0857-0.34773.8717-0.08620.1336-1.0233-0.0046-0.78490.03210.31391.05790.36931.36780.2731-0.69780.4905-0.13150.989758.885534.722923.6852
490.32050.2198-0.72870.0647-0.51411.76690.6002-0.1564-1.06970.6809-0.39110.25410.8695-0.4202-0.17280.82480.3518-0.46560.2589-0.28880.686548.492739.915310.6015
506.19760.0903-3.19286.6954-1.44011.92690.0533-0.54980.2799-1.4389-0.50760.15970.53840.2370.4251.21510.7619-0.34441.0504-0.28311.031854.627839.17388.0646
510.1809-0.42140.04041.2980.32980.70160.0582-0.54530.1886-0.0431-0.0879-0.05520.10580.0526-0.00430.2451-0.02060.15560.547-0.03530.28864.8413-5.40669.8527
523.7343-2.0396-0.99411.7167-0.07230.812-0.77850.61510.42670.33350.6205-0.33430.17541.1111-0.07340.2788-0.09590.0920.5887-0.3070.544513.3467-1.94038.6897
532.56870.26810.38670.112-0.19011.46270.0013-0.49350.66120.1715-0.10370.23950.26460.1610.10.2245-0.08040.00550.4006-0.12820.316-0.33550.4794.786
541.0486-0.1146-0.57990.98670.01710.5708-0.0248-0.21540.183-0.25490.1199-0.11130.1185-0.1019-0.02970.2646-0.06320.10560.3098-0.10340.21773.9336-5.11390.6927
558.64511.23523.71563.07560.85581.55960.2540.7863-0.8168-0.3076-0.3750.203-0.3220.00660.04450.2701-0.04620.12610.2143-0.00350.11731.9132-8.0339-6.8801
561.5291-0.5-0.33091.8572-0.79761.97730.64910.5780.377-0.0386-0.2245-0.02520.20390.0393-0.14670.38720.00020.10210.3270.01990.3218-0.86763.1789-9.1516
570.9245-0.38670.58031.048-0.82820.6159-0.0007-0.11530.6268-0.20420.01330.10450.44430.2874-0.07060.3722-0.05410.06230.29470.06660.3356-16.117210.7856-1.9287
583.1583-0.86980.06492.1013-0.73020.1493-0.2715-0.52050.62920.04440.4734-0.5883-0.2186-0.54-0.42950.1851-0.12330.09510.29040.01640.3737-13.840812.64380.045
591.15731.10780.00472.0197-0.78193.69810.0960.03820.221-0.07240.18110.30370.1629-0.5996-0.14170.1628-0.1621-0.04220.22910.12290.3905-24.18817.919-3.9175
601.76782.4822-0.79333.68580.05858.8601-0.47090.0377-1.8917-0.0856-0.3442-0.01780.1113-0.26221.14080.4461-0.1449-0.35480.19420.14360.631-28.08760.3497-4.4444
610.2051-0.53250.19931.0999-0.20460.62540.3394-0.6468-0.1588-0.285-0.35210.510.1266-0.1783-0.09670.2567-0.0029-0.130.4335-0.06160.429720.466370.60766.8135
620.2971-0.00320.40020.2850.09360.3323-0.11660.1670.17280.26450.02490.1075-0.5755-1.17710.05570.31340.1138-0.07590.62960.06230.353813.368469.0667.6984
632.2424-1.08831.25341.2688-0.38051.7674-0.0009-0.29290.03-0.1065-0.0864-0.086-0.0695-0.25150.08130.26310.0468-0.05810.2420.01360.215625.613265.529461.7969
643.0181-1.92550.76532.01060.16920.64951.06110.27050.2632-1.4228-0.647-0.0619-0.7298-0.2779-0.03870.48110.0824-0.15020.1851-0.05630.237719.058666.473453.3159
650.6852-0.70860.70320.9806-0.03442.7582-0.00390.2857-0.9082-0.34690.3665-0.48571.1013-0.3258-0.39430.5637-0.0349-0.10640.30070.06540.533926.344152.98256.7873
661.465-0.56020.21120.6065-0.87791.7681-0.19-0.3603-0.5462-0.6179-0.16640.07310.4238-0.23990.33780.3870.04440.01710.1760.09530.589642.254548.929765.1882
671.5198-0.1858-0.09020.0574-0.00771.3357-0.1896-0.2289-0.2865-0.03380.1745-0.15170.191-0.1520.03260.31550.05630.0330.25180.15180.528141.477754.047570.5611
680.05950.01180.00882.4095-1.34730.74570.1816-0.0421-0.13270.3197-0.4137-0.71550.0173-0.03410.39560.20050.09420.06940.23530.23420.665253.24351.118370.5755
690.61460.335-0.87193.17981.15872.3718-0.3618-0.1777-0.4959-0.38050.2349-0.5206-0.12840.17420.05240.16190.0490.19820.08730.1320.454550.275954.323262.6558
701.2623-1.0436-1.73074.7546-0.50673.09510.9713-0.18051.0882-2.0578-0.86250.4144-0.06971.02890.10980.0432-0.70390.7264-1.38730.9076-0.054248.109255.740255.7998
710.47310.1751-0.39931.05310.65450.9422-0.16820.1127-0.13240.31410.590.0902-0.16990.279-0.45020.2828-0.0534-0.08550.7149-0.02380.361515.674440.2758-21.6937
722.0214-0.0672-1.72124.0276-0.0521.6954-1.99990.6848-0.86060.22041.1956-0.49970.7411-0.5216-0.3686-0.4042-0.3866-0.54220.6397-0.3067-0.060523.899842.9548-23.059
731.09870.46270.0761.599-0.98541.69940.15650.2266-0.23310.1171-0.0460.4536-0.06610.1896-0.06610.1641-0.09180.00640.4533-0.06080.312810.278738.8432-16.2786
744.69531.3863-0.99381.5329-1.05760.89420.62420.0357-0.27910.5577-0.0552-0.167-0.33890.2387-0.28750.3531-0.15430.03110.3866-0.11440.194221.709445.9104-10.8079
752.21370.0838-0.10832.9820.4732.20830.5828-0.6348-0.22360.53340.0351-0.1082-0.10630.3212-0.29610.611-0.09990.02960.6857-0.04350.53079.377933.6521-4.8646
760.1325-0.1399-0.37950.9272-0.1521.00260.05670.0797-0.66320.160.06430.5744-0.2303-0.3321-0.06010.1779-0.07390.01180.33430.24380.5272-7.47628.4763-13.517
771.2961.027-2.01691.0098-1.82534.14320.0443-0.5166-0.251-0.31610.11510.23920.20140.4036-0.0090.1449-0.0167-0.02070.35670.15540.5143-2.178827.0563-14.2706
783.8391-0.0347-0.98051.6505-0.03380.1906-0.4276-1.51132.54870.0892-0.12361.1784-0.8884-1.3062-0.3408-0.0359-0.23080.11970.54470.57530.3727-16.164224.8895-16.6266
791.46561.1279-0.63421.8452-0.9941.33890.77691.00810.86910.33690.25191.23060.0505-0.4501-0.84950.33120.03760.17560.62320.22210.7732-13.056633.3382-10.8241
800.82440.1381-0.50721.3093-0.10740.81410.8639-0.60720.13040.16360.17590.3503-0.4647-0.8282-0.86810.44060.1470.21750.8910.20160.8206-12.023137.053-6.3272
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1(CHAIN A AND RESID 646:665)A646 - 665
2X-RAY DIFFRACTION2(CHAIN A AND RESID 666:690)A666 - 690
3X-RAY DIFFRACTION3(CHAIN A AND RESID 691:734)A691 - 734
4X-RAY DIFFRACTION4(CHAIN A AND RESID 735:751)A735 - 751
5X-RAY DIFFRACTION5(CHAIN A AND RESID 752:763)A752 - 763
6X-RAY DIFFRACTION6(CHAIN A AND RESID 764:773)A764 - 773
7X-RAY DIFFRACTION7(CHAIN A AND RESID 774:784)A774 - 784
8X-RAY DIFFRACTION8(CHAIN A AND RESID 785:802)A785 - 802
9X-RAY DIFFRACTION9(CHAIN A AND RESID 803:824)A803 - 824
10X-RAY DIFFRACTION10(CHAIN A AND RESID 825:834)A825 - 834
11X-RAY DIFFRACTION11(CHAIN B AND RESID 646:660)B646 - 660
12X-RAY DIFFRACTION12(CHAIN B AND RESID 661:685)B661 - 685
13X-RAY DIFFRACTION13(CHAIN B AND RESID 686:732)B686 - 732
14X-RAY DIFFRACTION14(CHAIN B AND RESID 733:752)B733 - 752
15X-RAY DIFFRACTION15(CHAIN B AND RESID 753:763)B753 - 763
16X-RAY DIFFRACTION16(CHAIN B AND RESID 764:773)B764 - 773
17X-RAY DIFFRACTION17(CHAIN B AND RESID 774:784)B774 - 784
18X-RAY DIFFRACTION18(CHAIN B AND RESID 785:796)B785 - 796
19X-RAY DIFFRACTION19(CHAIN B AND RESID 797:803)B797 - 803
20X-RAY DIFFRACTION20(CHAIN B AND RESID 804:834)B804 - 834
21X-RAY DIFFRACTION21(CHAIN C AND RESID 644:657)C644 - 657
22X-RAY DIFFRACTION22(CHAIN C AND RESID 658:673)C658 - 673
23X-RAY DIFFRACTION23(CHAIN C AND RESID 674:681)C674 - 681
24X-RAY DIFFRACTION24(CHAIN C AND RESID 682:721)C682 - 721
25X-RAY DIFFRACTION25(CHAIN C AND RESID 722:734)C722 - 734
26X-RAY DIFFRACTION26(CHAIN C AND RESID 735:751)C735 - 751
27X-RAY DIFFRACTION27(CHAIN C AND RESID 752:762)C752 - 762
28X-RAY DIFFRACTION28(CHAIN C AND RESID 763:783)C763 - 783
29X-RAY DIFFRACTION29(CHAIN C AND RESID 784:803)C784 - 803
30X-RAY DIFFRACTION30(CHAIN C AND RESID 804:834)C804 - 834
31X-RAY DIFFRACTION31(CHAIN D AND RESID 646:669)D646 - 669
32X-RAY DIFFRACTION32(CHAIN D AND RESID 670:727)D670 - 727
33X-RAY DIFFRACTION33(CHAIN D AND RESID 728:743)D728 - 743
34X-RAY DIFFRACTION34(CHAIN D AND RESID 744:753)D744 - 753
35X-RAY DIFFRACTION35(CHAIN D AND RESID 754:773)D754 - 773
36X-RAY DIFFRACTION36(CHAIN D AND RESID 774:783)D774 - 783
37X-RAY DIFFRACTION37(CHAIN D AND RESID 784:790)D784 - 790
38X-RAY DIFFRACTION38(CHAIN D AND RESID 791:809)D791 - 809
39X-RAY DIFFRACTION39(CHAIN D AND RESID 810:823)D810 - 823
40X-RAY DIFFRACTION40(CHAIN D AND RESID 824:834)D824 - 834
41X-RAY DIFFRACTION41(CHAIN E AND RESID 646:667)E646 - 667
42X-RAY DIFFRACTION42(CHAIN E AND RESID 668:697)E668 - 697
43X-RAY DIFFRACTION43(CHAIN E AND RESID 698:728)E698 - 728
44X-RAY DIFFRACTION44(CHAIN E AND RESID 729:753)E729 - 753
45X-RAY DIFFRACTION45(CHAIN E AND RESID 754:769)E754 - 769
46X-RAY DIFFRACTION46(CHAIN E AND RESID 770:790)E770 - 790
47X-RAY DIFFRACTION47(CHAIN E AND RESID 791:798)E791 - 798
48X-RAY DIFFRACTION48(CHAIN E AND RESID 799:807)E799 - 807
49X-RAY DIFFRACTION49(CHAIN E AND RESID 808:824)E808 - 824
50X-RAY DIFFRACTION50(CHAIN E AND RESID 825:834)E825 - 834
51X-RAY DIFFRACTION51(CHAIN F AND RESID 646:666)F646 - 666
52X-RAY DIFFRACTION52(CHAIN F AND RESID 667:675)F667 - 675
53X-RAY DIFFRACTION53(CHAIN F AND RESID 676:692)F676 - 692
54X-RAY DIFFRACTION54(CHAIN F AND RESID 693:723)F693 - 723
55X-RAY DIFFRACTION55(CHAIN F AND RESID 724:732)F724 - 732
56X-RAY DIFFRACTION56(CHAIN F AND RESID 733:750)F733 - 750
57X-RAY DIFFRACTION57(CHAIN F AND RESID 751:773)F751 - 773
58X-RAY DIFFRACTION58(CHAIN F AND RESID 774:788)F774 - 788
59X-RAY DIFFRACTION59(CHAIN F AND RESID 789:829)F789 - 829
60X-RAY DIFFRACTION60(CHAIN F AND RESID 830:834)F830 - 834
61X-RAY DIFFRACTION61(CHAIN G AND RESID 644:666)G644 - 666
62X-RAY DIFFRACTION62(CHAIN G AND RESID 667:676)G667 - 676
63X-RAY DIFFRACTION63(CHAIN G AND RESID 677:717)G677 - 717
64X-RAY DIFFRACTION64(CHAIN G AND RESID 718:733)G718 - 733
65X-RAY DIFFRACTION65(CHAIN G AND RESID 734:751)G734 - 751
66X-RAY DIFFRACTION66(CHAIN G AND RESID 752:766)G752 - 766
67X-RAY DIFFRACTION67(CHAIN G AND RESID 767:790)G767 - 790
68X-RAY DIFFRACTION68(CHAIN G AND RESID 791:802)G791 - 802
69X-RAY DIFFRACTION69(CHAIN G AND RESID 803:821)G803 - 821
70X-RAY DIFFRACTION70(CHAIN G AND RESID 822:834)G822 - 834
71X-RAY DIFFRACTION71(CHAIN H AND RESID 645:659)H645 - 659
72X-RAY DIFFRACTION72(CHAIN H AND RESID 660:673)H660 - 673
73X-RAY DIFFRACTION73(CHAIN H AND RESID 674:711)H674 - 711
74X-RAY DIFFRACTION74(CHAIN H AND RESID 712:731)H712 - 731
75X-RAY DIFFRACTION75(CHAIN H AND RESID 732:752)H732 - 752
76X-RAY DIFFRACTION76(CHAIN H AND RESID 753:773)H753 - 773
77X-RAY DIFFRACTION77(CHAIN H AND RESID 774:786)H774 - 786
78X-RAY DIFFRACTION78(CHAIN H AND RESID 787:802)H787 - 802
79X-RAY DIFFRACTION79(CHAIN H AND RESID 803:822)H803 - 822
80X-RAY DIFFRACTION80(CHAIN H AND RESID 823:834)H823 - 834

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