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- PDB-8cob: Crystal structure of human PCNA in complex with ERCC6L2 PIP box p... -

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Basic information

Entry
Database: PDB / ID: 8cob
TitleCrystal structure of human PCNA in complex with ERCC6L2 PIP box peptide
Components
  • DNA excision repair protein ERCC-6-like 2
  • Proliferating cell nuclear antigen
KeywordsDNA BINDING PROTEIN / ERCC6L2 / RAD26L / HEBO / PCNA / CENTROMERE ASSOCIATED REPLICATION FACTOR
Function / homology
Function and homology information


positive regulation of deoxyribonuclease activity / dinucleotide insertion or deletion binding / PCNA-p21 complex / mitotic telomere maintenance via semi-conservative replication / purine-specific mismatch base pair DNA N-glycosylase activity / nuclear lamina / positive regulation of DNA-directed DNA polymerase activity / Polymerase switching / MutLalpha complex binding / Telomere C-strand (Lagging Strand) Synthesis ...positive regulation of deoxyribonuclease activity / dinucleotide insertion or deletion binding / PCNA-p21 complex / mitotic telomere maintenance via semi-conservative replication / purine-specific mismatch base pair DNA N-glycosylase activity / nuclear lamina / positive regulation of DNA-directed DNA polymerase activity / Polymerase switching / MutLalpha complex binding / Telomere C-strand (Lagging Strand) Synthesis / Processive synthesis on the lagging strand / PCNA complex / Removal of the Flap Intermediate / Processive synthesis on the C-strand of the telomere / Polymerase switching on the C-strand of the telomere / Mismatch repair (MMR) directed by MSH2:MSH3 (MutSbeta) / Mismatch repair (MMR) directed by MSH2:MSH6 (MutSalpha) / Transcription of E2F targets under negative control by DREAM complex / Removal of the Flap Intermediate from the C-strand / replisome / response to L-glutamate / response to dexamethasone / histone acetyltransferase binding / DNA polymerase processivity factor activity / leading strand elongation / G1/S-Specific Transcription / nuclear replication fork / replication fork processing / SUMOylation of DNA replication proteins / PCNA-Dependent Long Patch Base Excision Repair / response to cadmium ion / translesion synthesis / estrous cycle / mismatch repair / cyclin-dependent protein kinase holoenzyme complex / base-excision repair, gap-filling / DNA polymerase binding / liver regeneration / epithelial cell differentiation / positive regulation of DNA repair / TP53 Regulates Transcription of Genes Involved in G2 Cell Cycle Arrest / Translesion synthesis by REV1 / Translesion synthesis by POLK / Translesion synthesis by POLI / positive regulation of DNA replication / Gap-filling DNA repair synthesis and ligation in GG-NER / replication fork / nuclear estrogen receptor binding / male germ cell nucleus / Termination of translesion DNA synthesis / Recognition of DNA damage by PCNA-containing replication complex / Translesion Synthesis by POLH / receptor tyrosine kinase binding / HDR through Homologous Recombination (HRR) / Dual Incision in GG-NER / cellular response to xenobiotic stimulus / cellular response to hydrogen peroxide / Dual incision in TC-NER / Gap-filling DNA repair synthesis and ligation in TC-NER / cellular response to UV / response to estradiol / E3 ubiquitin ligases ubiquitinate target proteins / heart development / chromatin organization / damaged DNA binding / chromosome, telomeric region / nuclear body / centrosome / chromatin binding / chromatin / protein-containing complex binding / enzyme binding / negative regulation of transcription by RNA polymerase II / extracellular exosome / nucleoplasm / identical protein binding / nucleus
Similarity search - Function
Proliferating cell nuclear antigen signature 2. / Proliferating cell nuclear antigen, PCNA, conserved site / Proliferating cell nuclear antigen signature 1. / Proliferating cell nuclear antigen, PCNA / Proliferating cell nuclear antigen, PCNA, N-terminal / Proliferating cell nuclear antigen, PCNA, C-terminal / Proliferating cell nuclear antigen, N-terminal domain / Proliferating cell nuclear antigen, C-terminal domain / :
Similarity search - Domain/homology
Proliferating cell nuclear antigen
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.73 Å
AuthorsAriza, A.
Funding support United Kingdom, 1items
OrganizationGrant numberCountry
Cancer Research UK16304 United Kingdom
CitationJournal: Cell Rep / Year: 2023
Title: ERCC6L2 mitigates replication stress and promotes centromere stability.
Authors: Carnie, C.J. / Armstrong, L. / Sebesta, M. / Ariza, A. / Wang, X. / Graham, E. / Zhu, K. / Ahel, D.
History
DepositionFeb 27, 2023Deposition site: PDBE / Processing site: PDBE
Revision 1.0Apr 19, 2023Provider: repository / Type: Initial release
Revision 1.1Feb 7, 2024Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model / struct_ncs_dom_lim
Item: _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id ..._struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id
Revision 1.2Nov 20, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Proliferating cell nuclear antigen
B: DNA excision repair protein ERCC-6-like 2
C: Proliferating cell nuclear antigen
D: DNA excision repair protein ERCC-6-like 2
E: Proliferating cell nuclear antigen
F: DNA excision repair protein ERCC-6-like 2


Theoretical massNumber of molelcules
Total (without water)91,0886
Polymers91,0886
Non-polymers00
Water1,15364
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: gel filtration
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7870 Å2
ΔGint-49 kcal/mol
Surface area34080 Å2
Unit cell
Length a, b, c (Å)67.694, 109.082, 139.396
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Space group name HallP2ac2ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x,y+1/2,-z+1/2
#4: -x+1/2,-y,z+1/2
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
21
31
12
22
32

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
111METMETLEULEU(chain 'A' and (resid 1 through 7 or resid 9...AA1 - 61 - 6
121GLYGLYVALVAL(chain 'A' and (resid 1 through 7 or resid 9...AA9 - 159 - 15
131ALAALAASPASP(chain 'A' and (resid 1 through 7 or resid 9...AA18 - 4118 - 41
141HISHISGLYGLY(chain 'A' and (resid 1 through 7 or resid 9...AA44 - 5644 - 56
151THRTHRTHRTHR(chain 'A' and (resid 1 through 7 or resid 9...AA5959
161CYSCYSCYSCYS(chain 'A' and (resid 1 through 7 or resid 9...AA6262
171ASNASNTHRTHR(chain 'A' and (resid 1 through 7 or resid 9...AA65 - 8965 - 89
181ASPASPGLUGLU(chain 'A' and (resid 1 through 7 or resid 9...AA97 - 10497 - 104
191LYSLYSVALVAL(chain 'A' and (resid 1 through 7 or resid 9...AA110 - 111110 - 111
1101TYRTYRLEULEU(chain 'A' and (resid 1 through 7 or resid 9...AA114 - 118114 - 118
1111LEULEUVALVAL(chain 'A' and (resid 1 through 7 or resid 9...AA121 - 123121 - 123
1121LEULEUGLUGLU(chain 'A' and (resid 1 through 7 or resid 9...AA126 - 130126 - 130
1131TYRTYRSERSER(chain 'A' and (resid 1 through 7 or resid 9...AA133 - 141133 - 141
1141PHEPHEILEILE(chain 'A' and (resid 1 through 7 or resid 9...AA144 - 154144 - 154
1151ALAALACYSCYS(chain 'A' and (resid 1 through 7 or resid 9...AA157 - 162157 - 162
1161ASPASPSERSER(chain 'A' and (resid 1 through 7 or resid 9...AA165 - 170165 - 170
1171LEULEUGLNGLN(chain 'A' and (resid 1 through 7 or resid 9...AA175 - 184175 - 184
1181ALAALAMETMET(chain 'A' and (resid 1 through 7 or resid 9...AA194 - 199194 - 199
1191PROPROALAALA(chain 'A' and (resid 1 through 7 or resid 9...AA202 - 208202 - 208
1201TYRTYRGLUGLU(chain 'A' and (resid 1 through 7 or resid 9...AA211 - 238211 - 238
1211ILEILEPROPRO(chain 'A' and (resid 1 through 7 or resid 9...AA241 - 253241 - 253
2221METMETLEULEU(chain 'C' and (resid 1 through 7 or resid 9...CC1 - 61 - 6
2231GLYGLYVALVAL(chain 'C' and (resid 1 through 7 or resid 9...CC9 - 159 - 15
2241ALAALAASPASP(chain 'C' and (resid 1 through 7 or resid 9...CC18 - 4118 - 41
2251HISHISGLYGLY(chain 'C' and (resid 1 through 7 or resid 9...CC44 - 5644 - 56
2261THRTHRTHRTHR(chain 'C' and (resid 1 through 7 or resid 9...CC5959
2271CYSCYSCYSCYS(chain 'C' and (resid 1 through 7 or resid 9...CC6262
2281ASNASNTHRTHR(chain 'C' and (resid 1 through 7 or resid 9...CC65 - 8965 - 89
2291ASPASPGLUGLU(chain 'C' and (resid 1 through 7 or resid 9...CC97 - 10497 - 104
2301LYSLYSVALVAL(chain 'C' and (resid 1 through 7 or resid 9...CC110 - 111110 - 111
2311TYRTYRLEULEU(chain 'C' and (resid 1 through 7 or resid 9...CC114 - 118114 - 118
2321LEULEUVALVAL(chain 'C' and (resid 1 through 7 or resid 9...CC121 - 123121 - 123
2331LEULEUGLUGLU(chain 'C' and (resid 1 through 7 or resid 9...CC126 - 130126 - 130
2341TYRTYRSERSER(chain 'C' and (resid 1 through 7 or resid 9...CC133 - 141133 - 141
2351PHEPHEILEILE(chain 'C' and (resid 1 through 7 or resid 9...CC144 - 154144 - 154
2361ALAALACYSCYS(chain 'C' and (resid 1 through 7 or resid 9...CC157 - 162157 - 162
2371ASPASPSERSER(chain 'C' and (resid 1 through 7 or resid 9...CC165 - 170165 - 170
2381LEULEUGLNGLN(chain 'C' and (resid 1 through 7 or resid 9...CC175 - 184175 - 184
2391ALAALAMETMET(chain 'C' and (resid 1 through 7 or resid 9...CC194 - 199194 - 199
2401PROPROALAALA(chain 'C' and (resid 1 through 7 or resid 9...CC202 - 208202 - 208
2411TYRTYRGLUGLU(chain 'C' and (resid 1 through 7 or resid 9...CC211 - 238211 - 238
2421ILEILEPROPRO(chain 'C' and (resid 1 through 7 or resid 9...CC241 - 253241 - 253
3431METMETLEULEU(chain 'E' and (resid 1 through 7 or resid 9...EE1 - 61 - 6
3441GLYGLYVALVAL(chain 'E' and (resid 1 through 7 or resid 9...EE9 - 159 - 15
3451ALAALAASPASP(chain 'E' and (resid 1 through 7 or resid 9...EE18 - 4118 - 41
3461HISHISGLYGLY(chain 'E' and (resid 1 through 7 or resid 9...EE44 - 5644 - 56
3481THRTHRTHRTHR(chain 'E' and (resid 1 through 7 or resid 9...EE5959
3491CYSCYSCYSCYS(chain 'E' and (resid 1 through 7 or resid 9...EE6262
3501ASNASNTHRTHR(chain 'E' and (resid 1 through 7 or resid 9...EE65 - 8965 - 89
3511ASPASPGLUGLU(chain 'E' and (resid 1 through 7 or resid 9...EE97 - 10497 - 104
3521LYSLYSVALVAL(chain 'E' and (resid 1 through 7 or resid 9...EE110 - 111110 - 111
3531TYRTYRLEULEU(chain 'E' and (resid 1 through 7 or resid 9...EE114 - 118114 - 118
3541LEULEUVALVAL(chain 'E' and (resid 1 through 7 or resid 9...EE121 - 123121 - 123
3551LEULEUGLUGLU(chain 'E' and (resid 1 through 7 or resid 9...EE126 - 130126 - 130
3561TYRTYRSERSER(chain 'E' and (resid 1 through 7 or resid 9...EE133 - 141133 - 141
3571PHEPHEILEILE(chain 'E' and (resid 1 through 7 or resid 9...EE144 - 154144 - 154
3581ALAALACYSCYS(chain 'E' and (resid 1 through 7 or resid 9...EE157 - 162157 - 162
3591ASPASPSERSER(chain 'E' and (resid 1 through 7 or resid 9...EE165 - 170165 - 170
3601LEULEUGLNGLN(chain 'E' and (resid 1 through 7 or resid 9...EE175 - 184175 - 184
3611ALAALAMETMET(chain 'E' and (resid 1 through 7 or resid 9...EE194 - 199194 - 199
3621PROPROALAALA(chain 'E' and (resid 1 through 7 or resid 9...EE202 - 208202 - 208
3631TYRTYRGLUGLU(chain 'E' and (resid 1 through 7 or resid 9...EE211 - 238211 - 238
3641ILEILEPROPRO(chain 'E' and (resid 1 through 7 or resid 9...EE241 - 253241 - 253
1652GLYGLYPHEPHEchain 'B'BB797 - 8064 - 13
2662GLYGLYPHEPHEchain 'D'DD797 - 8064 - 13
3672GLYGLYPHEPHE(chain 'F' and resid 797 through 807)FF797 - 8064 - 13

NCS ensembles :
ID
1
2

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Components

#1: Protein Proliferating cell nuclear antigen / PCNA / Cyclin


Mass: 28795.752 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: PCNA / Production host: Escherichia coli (E. coli) / References: UniProt: P12004
#2: Protein/peptide DNA excision repair protein ERCC-6-like 2


Mass: 1566.798 Da / Num. of mol.: 3 / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human)
References: Hydrolases; Acting on acid anhydrides; Acting on acid anhydrides to facilitate cellular and subcellular movement
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 64 / 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: 3 Å3/Da / Density % sol: 58.97 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / pH: 5.5 / Details: 25% (w/v) PEG3350, 100 mM BIS-TRIS pH 5.5

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: MASSIF-1 / Wavelength: 0.966 Å
DetectorType: DECTRIS PILATUS3 2M / Detector: PIXEL / Date: Oct 28, 2017
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.966 Å / Relative weight: 1
ReflectionResolution: 2.73→48.56 Å / Num. obs: 28128 / % possible obs: 99.9 % / Redundancy: 5 % / Biso Wilson estimate: 48.91 Å2 / CC1/2: 0.995 / Rmerge(I) obs: 0.118 / Rpim(I) all: 0.059 / Rrim(I) all: 0.133 / Net I/σ(I): 10.5
Reflection shellResolution: 2.73→2.86 Å / Redundancy: 4.8 % / Rmerge(I) obs: 0.531 / Mean I/σ(I) obs: 3 / Num. unique obs: 3678 / CC1/2: 0.5 / Rpim(I) all: 0.272 / Rrim(I) all: 0.599 / % possible all: 99.9

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Processing

Software
NameVersionClassification
PHENIXdev_3126refinement
XDSdata reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 5MLO

5mlo


Resolution: 2.73→48.56 Å / SU ML: 0.3824 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 25.4455
RfactorNum. reflection% reflection
Rfree0.2547 1405 5 %
Rwork0.197 --
obs0.1999 28073 99.8 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso mean: 63.35 Å2
Refinement stepCycle: LAST / Resolution: 2.73→48.56 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms5982 0 0 64 6046
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00716290
X-RAY DIFFRACTIONf_angle_d1.13928521
X-RAY DIFFRACTIONf_chiral_restr0.05471002
X-RAY DIFFRACTIONf_plane_restr0.00591100
X-RAY DIFFRACTIONf_dihedral_angle_d5.98595228
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.73-2.830.36051210.28762628X-RAY DIFFRACTION99.78
2.83-2.940.28161440.26272633X-RAY DIFFRACTION99.78
2.94-3.070.33961350.25582611X-RAY DIFFRACTION99.71
3.07-3.240.29591350.24142649X-RAY DIFFRACTION99.89
3.24-3.440.28491410.20692630X-RAY DIFFRACTION100
3.44-3.70.29551660.21012622X-RAY DIFFRACTION99.96
3.7-4.080.24611310.18022670X-RAY DIFFRACTION100
4.08-4.670.21621270.14332697X-RAY DIFFRACTION99.96
4.67-5.880.20151530.162708X-RAY DIFFRACTION99.62
5.88-48.560.22951520.19822820X-RAY DIFFRACTION99.3
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)
14.45909493831-0.2550222804-0.5111689568138.000565629270.4423438493623.63403309158-0.3695173550981.1724016315-0.417267249422-0.6909423928340.225596063685-0.3824833606230.6842923679450.09264286271190.05643436490760.42154311453-0.03973205283590.1986781904560.679799005258-0.06797763726520.48353261694743.0343709069116.033177742-10.8241031048
26.593352879340.6148480719460.3331180177269.37711039698-2.109505625544.72172652248-0.2919023144190.747763726106-0.7861475184140.1442844725920.036019667491-0.0955262282680.888480943818-0.4132227113830.2096026804630.606644038527-0.2394950465510.2777310473010.575888458957-0.2366923821690.62349946720533.1613337544107.404301457-6.20168094381
35.762929308686.380280419520.9530137069777.182577209551.235176903320.415250551738-0.4414464661041.752973642040.070524081208-0.9538798519890.645404446309-0.5967164468810.4077449766730.286969554461-0.3348260067610.623219215334-0.01487845472240.1606461270521.282782533840.04614135109610.6981499760646.7634602311127.706454925-16.9402328068
41.69157449651-0.559150054747-0.5751016273892.00718677082-0.02136571689351.40751738138-0.0669895381952-0.1008505941930.1422016945840.224309826833-0.0753234361779-0.097166318235-0.04487059396060.602176495915-0.229333282503-0.3057161889920.0412670242310.0876148769020.4167263037750.1628591909570.84157945496248.7388510221137.5010485497.50682785929
52.51637696786-0.547735854124-1.445353681432.54030431534-0.06415865466661.569412388640.1697421769020.134649780138-0.2378263576510.1034455508340.07153757979-0.206593910240.0151852360510.701982026605-0.1807952249770.005846105932230.09528704368440.03409436295780.9618674869440.1699741904141.0537863064854.9760765058136.6567170069.70003844023
63.438304200180.524501398284-0.504764173940.6714507736820.06606075369291.444867439510.02932655264870.5015633076370.124457246508-0.1896715098570.0438546482811-0.03116871517430.1404481544260.2918600647380.02820343169170.05206999905970.08659305656130.09630883294720.5355901110430.1846485842210.63186158799548.5290883714131.028769393-1.95835158196
77.65926957462-3.58303286852-2.41523389896.201485733443.051347202498.125485266070.3942705405070.9568006410860.435541771773-0.741417643111-0.324747998456-1.04946137645-1.033401252730.511303388793-0.2007577319160.3714728786660.007613214232550.1046230086540.627880327420.3247225948440.76998843334346.8776549683140.211849083-14.2920250845
81.747815828991.17774239731-0.5201099339561.498030996790.5709165291661.26647687874-0.2295865475750.343408705516-0.415828441088-0.0965235665410.01579978117760.196549148354-0.0096673512797-0.04808097160460.1316592424340.3979151482450.005869193661570.2285134685480.09473906488-0.07020821086120.7646886229512.8731691487106.59090631822.1029800152
91.681865467160.5449833321411.055986687138.47924715459-0.1238268820013.95783488492-0.0224959502129-0.0559188044080.2158869260430.200745554851-0.056917999139-0.112295192164-0.2973151817190.09141988383390.07144959350630.3847565041470.03864065781830.1111658993090.09984746327970.04071376883710.6842915106626.6291030042115.85690959331.4936936701
101.59882470645-2.22593475701-1.144583214863.328299389632.348534112413.0357198152-0.54901111560.261355996671-0.9977518555620.172002567558-0.02109214086530.29921751610.325509284562-0.6319840992651.107962918010.839940794698-0.06697459368530.2960542842270.519929005626-0.3109010541771.2272492768-4.54544416238102.70010203911.2456398107
111.654143413570.606782131785-0.1619240394962.214524153560.8915706215034.02742804209-0.4835705138710.656890705646-0.72810107367-0.5854516105330.270234132502-0.5156189153150.6646336606590.2517827846470.03987780976650.684570310491-0.1410578378430.315750361960.446449354311-0.2391214400790.75656924425415.4867786709100.6399915092.85369276032
124.82202638849-4.14252326795-0.8714236362655.042144608422.399200350144.228495868140.4888347598280.580045049818-0.74850964082-0.547469343640.02882858528240.6119048593910.637992048683-0.336165971328-0.6600902795490.844835337085-0.5100304508130.1495508792371.02417543098-0.3320210411090.792779123852-2.38813932529103.563955746-1.70074987279
132.213081797060.3000174531790.4732589674361.4960676685-0.2131244662162.254758480030.0597845531481-0.141034407130.55525949260.135555710680.171593877189-0.243697976164-0.3845708984130.6274917056970.01416353401850.035262402935-0.40955224860.1074434508390.0492896517539-0.2003124260581.2132214441735.8620591254146.35893349332.3005632095
147.07799606824-0.538628407147-1.106765430422.448023252470.04170949414665.799594656010.03197579453090.03169170777590.1748599534630.122815492352-0.0848271459337-0.04054071455650.05948561445440.5755905217210.05903645144180.239065981093-0.06994217425420.08820616995980.390796311269-0.02381719372320.72083319294244.0198241961142.49817739621.5774687616
157.152575863784.68951959609-6.100953998293.06982491709-3.984491802475.37725506530.853071301881-0.5571699312131.600937510430.488384903985-0.446487763813-0.0655274696662-1.339068632020.435059741753-0.7110448670780.73983920513-0.02556741339580.253418780870.415075102943-0.08927822627591.1137262128824.7950670437153.40215092437.1324036577
164.0520748731.201129703390.9268236782854.041743399091.542510969984.36490669671-0.0302914556481-0.6596783312-0.5806718298590.691923784846-0.0428197450647-0.1879901300360.5951567645110.124955454035-0.04722555989630.382468181929-0.05058853641910.02508516562060.02193633547020.07943385312320.69139216960714.5446104633127.7969954239.9705267722
172.230134300131.28279430617-0.3730613931585.323250512180.4371804219032.4995648025-0.0628628035432-0.155670247583-0.1115693474190.133211518553-0.0873987358248-0.2721812552750.02363918297040.2307633175650.03716904793380.226175883809-0.03498359175330.03832029280810.0962675846494-0.03348822792770.52403174698119.6274574395136.82194671437.4921434104
185.24717803938-2.11372792885-0.4622669521385.010299426390.1687625879532.95356863335-0.156093626205-0.3971715724890.2469098057620.6354845097610.240792255744-0.540607070631-0.1149823898830.439883744688-0.2650376738350.238380299763-0.053567583229-0.01020529234470.225814911461-0.09434641688020.64872804854424.4576169495141.17908253338.2090917651
190.196045271389-0.2645216154491.313298648850.35791661488-1.775941323028.81292762052-0.263455692276-0.5441390535940.2804329933420.638997142106-0.01267190288851.94482744067-0.17041541392-1.624569005440.08318513844310.2632262827960.01885808611330.1514688694860.34439375117-0.04465109464020.8794653964997.04258558439147.61197185934.7926998839
201.94547698745-1.351322340960.2571697985982.980214559420.905558821043.941372811920.0591589243421-0.09197609571020.621583394045-0.1481697387070.01752294798250.423416265589-0.734440480818-0.215876656956-0.09821250754290.3377363970850.0510526976860.01099459616810.207214634572-0.1282325055940.81364617358414.4941158842152.71610839639.1847647246
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 1 through 65 )
2X-RAY DIFFRACTION2chain 'A' and (resid 66 through 117 )
3X-RAY DIFFRACTION3chain 'A' and (resid 118 through 134 )
4X-RAY DIFFRACTION4chain 'A' and (resid 135 through 173 )
5X-RAY DIFFRACTION5chain 'A' and (resid 174 through 202 )
6X-RAY DIFFRACTION6chain 'A' and (resid 203 through 255 )
7X-RAY DIFFRACTION7chain 'B' and (resid 797 through 807 )
8X-RAY DIFFRACTION8chain 'C' and (resid 1 through 65 )
9X-RAY DIFFRACTION9chain 'C' and (resid 66 through 117 )
10X-RAY DIFFRACTION10chain 'C' and (resid 118 through 134 )
11X-RAY DIFFRACTION11chain 'C' and (resid 135 through 255 )
12X-RAY DIFFRACTION12chain 'D' and (resid 797 through 807 )
13X-RAY DIFFRACTION13chain 'E' and (resid 1 through 65 )
14X-RAY DIFFRACTION14chain 'E' and (resid 66 through 117 )
15X-RAY DIFFRACTION15chain 'E' and (resid 118 through 134 )
16X-RAY DIFFRACTION16chain 'E' and (resid 135 through 202 )
17X-RAY DIFFRACTION17chain 'E' and (resid 203 through 240 )
18X-RAY DIFFRACTION18chain 'E' and (resid 241 through 255 )
19X-RAY DIFFRACTION19chain 'F' and (resid 796 through 800 )
20X-RAY DIFFRACTION20chain 'F' and (resid 801 through 807 )

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