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- PDB-5t9j: Crystal Structure of human GEN1 in complex with Holliday junction... -

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Basic information

Entry
Database: PDB / ID: 5t9j
TitleCrystal Structure of human GEN1 in complex with Holliday junction DNA in the upper interface
Components
  • DNA (5'-D(*DAP*DCP*DGP*DAP*DTP*DGP*DGP*DAP*DGP*DCP*DCP*DGP*DCP*DTP*DAP*DGP*DGP*DCP*DTP*DC)-3')
  • DNA (5'-D(*DGP*DAP*DAP*DTP*DTP*DCP*DCP*DGP*DGP*DAP*DTP*DTP*DAP*DGP*DGP*DGP*DAP*DTP*DGP*DC)-3')
  • DNA (5'-D(*DGP*DAP*DGP*DCP*DCP*DTP*DAP*DGP*DCP*DGP*DTP*DCP*DCP*DGP*DGP*DAP*DAP*DTP*DTP*DC)-3')
  • DNA (5'-D(*DGP*DCP*DAP*DTP*DCP*DCP*DCP*DTP*DAP*DAP*DGP*DCP*DTP*DCP*DCP*DAP*DTP*DCP*DGP*DT)-3')
  • Flap endonuclease GEN homolog 1
KeywordsHYDROLASE / protein-DNA complex / Holliday junction resolvase / structure-specific endonuclease / DNA four-way junction
Function / homology
Function and homology information


resolution of mitotic recombination intermediates / resolution of DNA recombination intermediates / positive regulation of mitotic cell cycle spindle assembly checkpoint / crossover junction DNA endonuclease activity / 5'-flap endonuclease activity / regulation of centrosome duplication / Resolution of D-loop Structures through Holliday Junction Intermediates / replication fork processing / four-way junction DNA binding / double-strand break repair via homologous recombination ...resolution of mitotic recombination intermediates / resolution of DNA recombination intermediates / positive regulation of mitotic cell cycle spindle assembly checkpoint / crossover junction DNA endonuclease activity / 5'-flap endonuclease activity / regulation of centrosome duplication / Resolution of D-loop Structures through Holliday Junction Intermediates / replication fork processing / four-way junction DNA binding / double-strand break repair via homologous recombination / Hydrolases; Acting on ester bonds / centrosome / magnesium ion binding / protein homodimerization activity / nucleoplasm
Similarity search - Function
Flap endonuclease GEN, chromatin organization modifier domain / Chromatin organization modifier domain 2 / XPG/Rad2 endonuclease / XPG, N-terminal / XPG-I domain / XPG N-terminal domain / XPG I-region / Xeroderma pigmentosum G I-region / Xeroderma pigmentosum G N-region / Helix-hairpin-helix motif, class 2 ...Flap endonuclease GEN, chromatin organization modifier domain / Chromatin organization modifier domain 2 / XPG/Rad2 endonuclease / XPG, N-terminal / XPG-I domain / XPG N-terminal domain / XPG I-region / Xeroderma pigmentosum G I-region / Xeroderma pigmentosum G N-region / Helix-hairpin-helix motif, class 2 / Helix-hairpin-helix class 2 (Pol1 family) motifs / 5'-3' exonuclease, C-terminal domain superfamily / PIN-like domain superfamily
Similarity search - Domain/homology
DNA / DNA (> 10) / Flap endonuclease GEN homolog 1
Similarity search - Component
Biological speciesHomo sapiens (human)
synthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / SIRAS / MIRAS / Resolution: 3.00012743215 Å
AuthorsLee, S.-H. / Biertumpfel, C.
Funding support Germany, 1items
OrganizationGrant numberCountry
Max Planck SocietyMax Planck Research Group Leader Program Germany
CitationJournal: Elife / Year: 2015
Title: Human Holliday junction resolvase GEN1 uses a chromodomain for efficient DNA recognition and cleavage.
Authors: Lee, S.H. / Princz, L.N. / Klugel, M.F. / Habermann, B. / Pfander, B. / Biertumpfel, C.
History
DepositionSep 9, 2016Deposition site: RCSB / Processing site: PDBE
Revision 1.0Sep 21, 2016Provider: repository / Type: Initial release
Revision 1.1May 8, 2024Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / struct_ncs_dom_lim
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _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

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Flap endonuclease GEN homolog 1
B: Flap endonuclease GEN homolog 1
C: DNA (5'-D(*DGP*DAP*DAP*DTP*DTP*DCP*DCP*DGP*DGP*DAP*DTP*DTP*DAP*DGP*DGP*DGP*DAP*DTP*DGP*DC)-3')
D: DNA (5'-D(*DGP*DCP*DAP*DTP*DCP*DCP*DCP*DTP*DAP*DAP*DGP*DCP*DTP*DCP*DCP*DAP*DTP*DCP*DGP*DT)-3')
E: DNA (5'-D(*DAP*DCP*DGP*DAP*DTP*DGP*DGP*DAP*DGP*DCP*DCP*DGP*DCP*DTP*DAP*DGP*DGP*DCP*DTP*DC)-3')
F: DNA (5'-D(*DGP*DAP*DGP*DCP*DCP*DTP*DAP*DGP*DCP*DGP*DTP*DCP*DCP*DGP*DGP*DAP*DAP*DTP*DTP*DC)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)142,75823
Polymers141,3286
Non-polymers1,43017
Water41423
1
A: Flap endonuclease GEN homolog 1
C: DNA (5'-D(*DGP*DAP*DAP*DTP*DTP*DCP*DCP*DGP*DGP*DAP*DTP*DTP*DAP*DGP*DGP*DGP*DAP*DTP*DGP*DC)-3')
D: DNA (5'-D(*DGP*DCP*DAP*DTP*DCP*DCP*DCP*DTP*DAP*DAP*DGP*DCP*DTP*DCP*DCP*DAP*DTP*DCP*DGP*DT)-3')
E: DNA (5'-D(*DAP*DCP*DGP*DAP*DTP*DGP*DGP*DAP*DGP*DCP*DCP*DGP*DCP*DTP*DAP*DGP*DGP*DCP*DTP*DC)-3')
F: DNA (5'-D(*DGP*DAP*DGP*DCP*DCP*DTP*DAP*DGP*DCP*DGP*DTP*DCP*DCP*DGP*DGP*DAP*DAP*DTP*DTP*DC)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)83,87916
Polymers82,9335
Non-polymers94511
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2


  • Idetical with deposited unit
  • defined by software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area11820 Å2
ΔGint-55 kcal/mol
Surface area54740 Å2
MethodPISA
Unit cell
Length a, b, c (Å)86.940, 86.940, 200.724
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number145
Space group name H-MP32
Space group name HallP32
Symmetry operation#1: x,y,z
#2: -y,x-y,z+2/3
#3: -x+y,-x,z+1/3
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
21

NCS domain segments:

Ens-ID: 1

Dom-IDComponent-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11GLYGLYLEULEU(chain A and (resseq 2 or (resid 3 and (name...AA2 - 192 - 19
12ASNASNLYSLYS(chain A and (resseq 2 or (resid 3 and (name...AA21 - 4221 - 42
13METMETMETMET(chain A and (resseq 2 or (resid 3 and (name...AA4444
14GLYGLYSERSER(chain A and (resseq 2 or (resid 3 and (name...AA46 - 4746 - 47
15METMETMETMET(chain A and (resseq 2 or (resid 3 and (name...AA4949
16PROPROPROPRO(chain A and (resseq 2 or (resid 3 and (name...AA51 - 7951 - 79
17ARGARGSERSER(chain A and (resseq 2 or (resid 3 and (name...AA93 - 10093 - 100
18SERSERASPASP(chain A and (resseq 2 or (resid 3 and (name...AA102 - 208102 - 208
19LEULEULYSLYS(chain A and (resseq 2 or (resid 3 and (name...AA210 - 219210 - 219
110GLNGLNARGARG(chain A and (resseq 2 or (resid 3 and (name...AA221 - 240221 - 240
111ASNASNASNASN(chain A and (resseq 2 or (resid 3 and (name...AA242242
112GLUGLUILEILE(chain A and (resseq 2 or (resid 3 and (name...AA311 - 316311 - 316
113LYSLYSCYSCYS(chain A and (resseq 2 or (resid 3 and (name...AA318 - 323318 - 323
114GLYGLYLYSLYS(chain A and (resseq 2 or (resid 3 and (name...AA325 - 466325 - 466
215GLYGLYLEULEU(chain B and (resseq 2 or (resid 3 and (name...BB2 - 192 - 19
216ASNASNLYSLYS(chain B and (resseq 2 or (resid 3 and (name...BB21 - 4221 - 42
217METMETMETMET(chain B and (resseq 2 or (resid 3 and (name...BB4444
218GLYGLYSERSER(chain B and (resseq 2 or (resid 3 and (name...BB46 - 4746 - 47
219METMETMETMET(chain B and (resseq 2 or (resid 3 and (name...BB4949
220PROPROPROPRO(chain B and (resseq 2 or (resid 3 and (name...BB51 - 7951 - 79
221ARGARGSERSER(chain B and (resseq 2 or (resid 3 and (name...BB93 - 10093 - 100
222SERSERASPASP(chain B and (resseq 2 or (resid 3 and (name...BB102 - 208102 - 208
223LEULEULYSLYS(chain B and (resseq 2 or (resid 3 and (name...BB210 - 219210 - 219
224GLNGLNARGARG(chain B and (resseq 2 or (resid 3 and (name...BB221 - 240221 - 240
225ASNASNASNASN(chain B and (resseq 2 or (resid 3 and (name...BB242242
226GLUGLUILEILE(chain B and (resseq 2 or (resid 3 and (name...BB311 - 316311 - 316
227LYSLYSCYSCYS(chain B and (resseq 2 or (resid 3 and (name...BB318 - 323318 - 323
228GLYGLYLYSLYS(chain B and (resseq 2 or (resid 3 and (name...BB325 - 466325 - 466

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Components

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Protein , 1 types, 2 molecules AB

#1: Protein Flap endonuclease GEN homolog 1


Mass: 58394.574 Da / Num. of mol.: 2 / Fragment: extended nuclease domain / Mutation: D30N
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: GEN1 / Plasmid: pCB-a-bax10 / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): pRIL
References: UniProt: Q17RS7, Hydrolases; Acting on ester bonds

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DNA chain , 4 types, 4 molecules CDEF

#2: DNA chain DNA (5'-D(*DGP*DAP*DAP*DTP*DTP*DCP*DCP*DGP*DGP*DAP*DTP*DTP*DAP*DGP*DGP*DGP*DAP*DTP*DGP*DC)-3')


Mass: 6134.967 Da / Num. of mol.: 1 / Fragment: DNA strand 1 / Source method: obtained synthetically / Details: DNA synthesis / Source: (synth.) synthetic construct (others)
#3: DNA chain DNA (5'-D(*DGP*DCP*DAP*DTP*DCP*DCP*DCP*DTP*DAP*DAP*DGP*DCP*DTP*DCP*DCP*DAP*DTP*DCP*DGP*DT)-3')


Mass: 6159.979 Da / Num. of mol.: 1 / Fragment: DNA strand 2 / Source method: obtained synthetically / Details: DNA synthesis / Source: (synth.) synthetic construct (others)
#4: DNA chain DNA (5'-D(*DAP*DCP*DGP*DAP*DTP*DGP*DGP*DAP*DGP*DCP*DCP*DGP*DCP*DTP*DAP*DGP*DGP*DCP*DTP*DC)-3')


Mass: 6029.905 Da / Num. of mol.: 1 / Fragment: DNA strand 3 / Source method: obtained synthetically / Details: DNA synthesis / Source: (synth.) synthetic construct (others)
#5: DNA chain DNA (5'-D(*DGP*DAP*DGP*DCP*DCP*DTP*DAP*DGP*DCP*DGP*DTP*DCP*DCP*DGP*DGP*DAP*DAP*DTP*DTP*DC)-3')


Mass: 6214.027 Da / Num. of mol.: 1 / Fragment: DNA strand 4 / Source method: obtained synthetically / Details: DNA synthesis / Source: (synth.) synthetic construct (others)

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Non-polymers , 3 types, 40 molecules

#6: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 15 / Source method: obtained synthetically / Formula: C3H8O3
#7: Chemical ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Mg
#8: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 23 / Source method: isolated from a natural source / Formula: H2O

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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: 3.1 Å3/Da / Density % sol: 60.31 %
Crystal growTemperature: 294 K / Method: vapor diffusion / pH: 6.5
Details: 100 mM MES-NaOH, 200 mM NaCl, ratio sample:crystallizing agent 2:1

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X10SA / Wavelength: 0.999950,0.978940,1.254730
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Oct 9, 2014
RadiationMonochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
IDWavelength (Å)Relative weight
10.999951
20.978941
31.254731
ReflectionResolution: 3→75.29 Å / Num. obs: 34063 / % possible obs: 99.8 % / Redundancy: 6.27 % / Biso Wilson estimate: 93.16 Å2 / CC1/2: 0.998 / Rsym value: 0.062 / Net I/σ(I): 18.4
Reflection shellResolution: 3→3.14 Å / Redundancy: 6.42 % / Rmerge(I) obs: 0.907 / Mean I/σ(I) obs: 1.9 / CC1/2: 0.649 / % possible all: 98.8

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Phasing

PhasingMethod: MIRAS
Phasing set
ID
1
2
3
Phasing MIRResolution: 3→70.5 Å / FOM acentric: 0.145 / FOM centric: 0 / Reflection acentric: 33597 / Reflection centric: 0
Phasing MIR der

Native set-ID: 1 / Power centric: 0 / Reflection centric: _ / Resolution: 3→70.5 Å

IDDer set-IDPower acentricReflection acentric
ISO_11033596
ISO_221.01112584
ISO_330.94510197
Phasing MIR der shell
Highest resolution (Å)Lowest resolution (Å)Der-IDPower acentricPower centricReflection acentricReflection centric
13.1970.5ISO_1003600
9.4113.19ISO_1006850
7.719.41ISO_1009020
6.687.71ISO_10010450
5.986.68ISO_10012150
5.475.98ISO_10013090
5.065.47ISO_10014450
4.745.06ISO_10015480
4.474.74ISO_10016080
4.244.47ISO_10017480
4.044.24ISO_10017970
3.874.04ISO_10019190
3.723.87ISO_10019950
3.583.72ISO_10020350
3.463.58ISO_10021710
3.353.46ISO_10021740
3.253.35ISO_10023480
3.163.25ISO_10023640
3.083.16ISO_10024390
33.08ISO_10024890
13.1970.5ISO_22.22603600
9.4113.19ISO_21.62106850
7.719.41ISO_21.23209020
6.687.71ISO_20.93010450
5.986.68ISO_20.662012150
5.475.98ISO_20.439013090
5.065.47ISO_20.267014450
4.745.06ISO_20.163015480
4.474.74ISO_20.108016080
4.244.47ISO_20.073017480
4.044.24ISO_20.04807190
3.874.04ISO_20000
3.723.87ISO_20000
3.583.72ISO_20000
3.463.58ISO_20000
3.353.46ISO_20000
3.253.35ISO_20000
3.163.25ISO_20000
3.083.16ISO_20000
33.08ISO_20000
13.1970.5ISO_31.29903590
9.4113.19ISO_31.51306850
7.719.41ISO_31.34209020
6.687.71ISO_31.188010450
5.986.68ISO_31.091012150
5.475.98ISO_30.865013090
5.065.47ISO_30.703014450
4.745.06ISO_30.566015480
4.474.74ISO_30.408015840
4.244.47ISO_30.2301050
4.044.24ISO_30000
3.874.04ISO_30000
3.723.87ISO_30000
3.583.72ISO_30000
3.463.58ISO_30000
3.353.46ISO_30000
3.253.35ISO_30000
3.163.25ISO_30000
3.083.16ISO_30000
33.08ISO_30000
Phasing MIR shell
Resolution (Å)FOM acentricFOM centricReflection acentricReflection centric
13.19-70.50.93603600
9.41-13.190.88206850
7.71-9.410.81409030
6.68-7.710.705010450
5.98-6.680.581012150
5.47-5.980.436013090
5.06-5.470.325014450
4.74-5.060.241015480
4.47-4.740.163016080
4.24-4.470.036017480
4.04-4.240.008017970
3.87-4.040019190
3.72-3.870019950
3.58-3.720020350
3.46-3.580021710
3.35-3.460021740
3.25-3.350023480
3.16-3.250023640
3.08-3.160024390
3-3.080024890

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Processing

Software
NameVersionClassification
autoSHARPphasing
PHENIX1.10.1_2155refinement
PDB_EXTRACT3.2data extraction
XDSdata reduction
XDSdata scaling
RefinementMethod to determine structure: SIRAS / Resolution: 3.00012743215→75.29 Å / SU ML: 0.4473414622 / Cross valid method: FREE R-VALUE / σ(F): 1.75747278652 / Phase error: 24.8888082375
RfactorNum. reflection% reflectionSelection details
Rfree0.240618520154 1720 5.06881207085 %RANDOM
Rwork0.198883324577 ---
obs0.20088296201 33933 99.9469824158 %-
Solvent computationShrinkage radii: 0.8 Å / VDW probe radii: 1.1 Å
Displacement parametersBiso mean: 128.704550473 Å2
Refinement stepCycle: LAST / Resolution: 3.00012743215→75.29 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6298 1589 92 23 8002
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.009848151954158385
X-RAY DIFFRACTIONf_angle_d0.62291716293411473
X-RAY DIFFRACTIONf_chiral_restr0.03944698185531252
X-RAY DIFFRACTIONf_plane_restr0.003062920067811178
X-RAY DIFFRACTIONf_dihedral_angle_d20.48187876464690
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.0001-3.08840.3567417888741420.2874177766652672X-RAY DIFFRACTION100
3.0884-3.18810.2890219035861420.2868955101032690X-RAY DIFFRACTION99.9647017296
3.1881-3.3020.2984589011751540.2387233699742649X-RAY DIFFRACTION100
3.302-3.43430.2523542120521580.2126738030922695X-RAY DIFFRACTION100
3.4343-3.59050.2769130152421210.2175920378452717X-RAY DIFFRACTION99.9295774648
3.5905-3.77980.2594877990541620.2148756607342687X-RAY DIFFRACTION100
3.7798-4.01660.2748547590911550.2077241388252636X-RAY DIFFRACTION99.9283924096
4.0166-4.32670.2142521075891460.1777964070682718X-RAY DIFFRACTION100
4.3267-4.76210.2152846797861520.1697703782782660X-RAY DIFFRACTION100
4.7621-5.4510.2017967455491320.1741842026012710X-RAY DIFFRACTION100
5.451-6.8670.2570412135341360.214016128682671X-RAY DIFFRACTION100
6.867-75.31590.2103654599281200.1876801381892708X-RAY DIFFRACTION99.5424146427
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)
17.56482908182-0.0174760852989-5.085923162397.114970060731.481914785094.393949865950.1823805574291.40870216208-0.996659280688-2.91735170604-0.88622590733-0.623897410429-0.454803261946-0.7549160187690.5835761653981.631593459410.1033028809790.2943297869440.9955648212720.2089826112850.76593413830247.928708396115.348772327491.6656806559
22.10948858177-1.625739636492.121742503836.59088608135-2.578272882022.88003984491-0.8536351622560.3905665212030.863333626841-1.334908719860.331520000217-0.744655903861-0.04586603203890.1158254801060.3374731066420.65393737688-0.106186001320.012092717430.8111027060070.09238188579581.1156460197648.227769552331.1666836741104.795647151
37.979572526581.153399902791.897596043493.82462654156-1.09677891622.549432203-0.000715073913511-0.159319595714-0.3755321747730.298379521838-0.0307533036635-0.563017232570.2337251071230.4845776138270.02886736275320.478196797818-0.053579299730.07427708641530.9235801615010.08992313719440.73347498167150.937812190526.7614634087111.745209333
46.24661032299-3.92394921748-1.086760652284.68552010373.258925113052.738309952830.4182990652180.2959620783680.0411785539303-0.713741420159-0.186389215827-0.8897328501390.4701612586070.369486495039-0.2027801990250.9170953023030.05511164227160.1935847359860.6529156269740.2120544554461.008771047653.165253896511.016845353398.5499155309
52.10921790889-1.48181443851.089921165633.81810656206-0.1042237281213.18530259376-0.0765132141295-0.3369498250340.1897025990030.234788332156-0.0363774174316-1.16823587160.821473308750.9330044118230.08573973063880.649411013641-0.009882600139810.1899350515231.102169613940.3385521071811.0917777614856.49281157812.3265514611107.032871151
68.95793449125-0.8514220518572.287867221845.421994913830.5414671630975.90909924890.0163202538979-0.354999322308-0.532233749423-0.221938489078-0.1006097453290.8385024779940.408727362043-1.085037663980.1541680347330.411788964447-0.1309711334130.06121226017341.138472956950.1768838837870.78371562587917.056364280128.6785795805105.400260129
78.258912153090.3476796220660.8974944056026.383896142281.412282619965.066068408510.017543430002-1.153703535880.6809599322930.427171780723-0.177654551515-0.04046666105040.181693564735-0.5814710939790.1068060245550.7401458588140.0833905823728-0.06776418508750.592953229851-0.1460448732960.563266923955-1.2785788957750.872984485849.1690000114
82.23848904071-1.029768115473.187285221687.53239947481-2.522124759724.6513082145-0.146711073285-0.2459454401890.8035593379210.09189225116650.2381133241330.6068390624940.0196275644633-0.722920115693-0.05755675435170.9658274190360.194714651481-0.03614872810430.7631551013610.01857103484361.13576000167-4.9419728608563.967333891434.6697026848
98.88405036174-2.66177519689-2.343526409011.5765689199-0.6082112475595.2284487-0.0217946526359-1.051229044230.1780104730580.0809355557696-0.1222510548730.3203126438480.0414773817876-0.808471791390.1938994997170.738699413676-0.0618806141534-0.1253569736340.78608669204-0.2269068466610.973783976964-13.516120911948.791975014549.782233261
106.9889995908-1.60973118338-3.921820556186.09527994110.5252145640838.0478246939-1.554241032920.173351964550.384150082723-0.4419407161961.63595962962-0.477151416643-1.44020765607-0.605440031289-0.1972009060670.546713663037-0.058046860450.07946286009911.53398026269-0.3373626933541.25415215892-32.112722361360.572870416155.8183084976
113.970663567660.7347436522590.641933372452.0027948-1.916804874172.07395408158-0.426504768084-0.4528636774731.743859150640.8351358847490.6455331332080.847534477474-0.267676818809-1.24005360468-0.04229591863631.407556874750.285503888687-0.2735505345481.23663305747-0.2612706900571.63650712242-24.174003200655.879466920645.4084005316
125.70764017394-2.815760108070.1931601567297.93285663932-1.193959093094.438101524590.1529371790550.0676307820017-0.594364825286-0.31946311167-0.145357092091-0.02518794136560.851013025810.254229204886-0.001527627934710.9148441247850.193313444465-0.1056431273430.478094917255-0.1700712165870.73103276013916.128644959731.788915203343.447803307
134.22488555998-1.799245228345.165963947240.476567749486-0.9268868445087.601344021850.2477358447260.336969392025-0.729361748547-0.472991934667-0.523247260977-0.4110460820980.02209609451330.7099565396870.07333337039810.881028945380.01357089204340.08871540163781.172098271590.1372094018480.97588688049930.91507804836.657790414582.8937745777
145.446939537538.055831892064.412691924151.97432588854.946543067318.308695259093.43944921749-0.415831628936-1.047518597333.78522438127-0.1274296104310.6539327284791.401135147391.63254692102-3.005221280991.781584180010.8597529896750.009344085230432.87563860195-0.4180238413762.4988511622742.135815079122.564640371472.5206492636
155.72080553557-1.01552646465-5.471919206858.687384187080.2392714792055.407284035253.86761327663-0.2004048094324.80236320631-0.9084262910071.446444582450.0893681372334-1.615476870250.789451392959-5.826065597032.501316402370.621198090410.9068293419633.068631613020.1808351959163.10135359959-4.742149552941.776698245877.5523983075
162.794686802881.209176785771.576922660657.31251359512-4.224751523355.279400759372.889880702091.99632697827-2.28003145877-1.267469769080.8112499641941.96151182494-1.76231155093-0.974382687369-4.026493124991.855445529730.680091004621-0.3617838272961.90354955706-0.3163829191052.3849995174311.638156229345.62458077382.8601805645
174.044432605665.193054860133.214911286955.659632260754.444537662948.178799905190.3517650455911.232503586360.374509857444-0.07073138819170.42987248323-0.580411508206-0.4788467615461.02036342326-0.8023772156890.7256228759980.115295080548-0.03642166517071.143497246840.170633123651.0260681460433.885308956940.323312415890.8717369487
183.67189495826-4.479658374284.172407010428.00370448667-2.980484885737.10497776253-0.39301403446-1.161114665582.631896195761.70492366380.392683628891-2.276624407610.5246381943860.1264644172560.1627923579921.204122547680.177510574278-0.1990388181260.715570660619-0.1408968235151.0733225900614.310032966651.922295189251.8250962398
195.939270727431.087959389962.748479227938.99739482467-3.174246469558.2226719597-0.642740135946-0.6214935816580.3359073434510.1226627209560.1347951507581.583923567130.41522137737-1.183029925930.0001685515310120.7721388250080.193486586187-0.1489699683241.27354505383-0.07795868138581.0933699279217.503464301541.698539149774.9742725269
208.76993541288.47091009323-7.15460279858.1373616866-6.917924680085.867299675820.573636567376-0.132124419231.06407050634-2.497142629814.473502313031.519324174121.04744629820.0679452790776-4.077716428232.403095747330.9254476432270.4456798086052.141824374920.4966804388763.32834932848-1.4381442683149.226207066879.5644864909
214.69175443968-0.8618365731794.425206225784.80933317414-2.36399625917.18210978945-0.640752900229-0.439602809122-1.371782727982.01936622205-0.798908605496-5.645339777960.111760583774-1.90098973451.149960360981.670886566690.1870773423330.390526002042.390248090580.08701124220662.1574683173237.807577078118.401292408671.9108656042
221.70161626341.56596926659-2.552893345492.50322693566-4.501374464636.72442138773-0.413832683487-0.4441872131260.444262779980.7317999058970.181209037456-0.887495128808-0.9448546069861.22046071070.09608552057261.048111865930.117757090604-0.1893511379571.09910174-0.09824090507651.2129385840822.25282396745.119463448561.1925250747
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 2 through 24 )
2X-RAY DIFFRACTION2chain 'A' and (resid 25 through 51 )
3X-RAY DIFFRACTION3chain 'A' and (resid 52 through 123 )
4X-RAY DIFFRACTION4chain 'A' and (resid 124 through 232 )
5X-RAY DIFFRACTION5chain 'A' and (resid 233 through 367 )
6X-RAY DIFFRACTION6chain 'A' and (resid 368 through 467 )
7X-RAY DIFFRACTION7chain 'B' and (resid 2 through 74 )
8X-RAY DIFFRACTION8chain 'B' and (resid 75 through 123 )
9X-RAY DIFFRACTION9chain 'B' and (resid 124 through 205 )
10X-RAY DIFFRACTION10chain 'B' and (resid 206 through 308 )
11X-RAY DIFFRACTION11chain 'B' and (resid 309 through 352 )
12X-RAY DIFFRACTION12chain 'B' and (resid 353 through 468 )
13X-RAY DIFFRACTION13chain 'C' and (resid 1 through 15 )
14X-RAY DIFFRACTION14chain 'C' and (resid 16 through 20 )
15X-RAY DIFFRACTION15chain 'D' and (resid 1 through 5 )
16X-RAY DIFFRACTION16chain 'D' and (resid 6 through 10 )
17X-RAY DIFFRACTION17chain 'D' and (resid 11 through 20 )
18X-RAY DIFFRACTION18chain 'E' and (resid 1 through 5 )
19X-RAY DIFFRACTION19chain 'E' and (resid 6 through 15 )
20X-RAY DIFFRACTION20chain 'E' and (resid 16 through 19 )
21X-RAY DIFFRACTION21chain 'F' and (resid 2 through 6 )
22X-RAY DIFFRACTION22chain 'F' and (resid 7 through 20 )

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