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- PDB-3clz: The set and ring associated (SRA) domain of UHRF1 bound to methyl... -

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Basic information

Entry
Database: PDB / ID: 3clz
TitleThe set and ring associated (SRA) domain of UHRF1 bound to methylated DNA
Components
  • 5'-D(*DCP*DCP*DCP*DTP*DGP*DCP*DGP*DGP*DGP*DCP*DCP*DC)-3'
  • 5'-D(*DGP*DGP*DGP*DCP*DCP*(5CM)P*DGP*DCP*DAP*DGP*DGP*DG)-3'
  • E3 ubiquitin-protein ligase UHRF1
KeywordsLIGASE / CELL CYCLE / DNA DAMAGE / DNA REPAIR / DNA-BINDING / BASE FLIPPING / METAL BINDING / NUCLEASE / DNA REPLICATION / TRANSCRIPTIONAL SILENCING / CHROMATIN / PHOSPHORYLATION / TRANSCRIPTION / TRANSCRIPTION REGULATION / UBL CONJUGATION / UBL CONJUGATION PATHWAY / ZINC / ZINC-FINGER / STRUCTURAL GENOMICS CONSORTIUM / SGC / Metal-binding / Nucleus / Phosphoprotein / Polymorphism
Function / homology
Function and homology information


positive regulation of DNA topoisomerase (ATP-hydrolyzing) activity / histone H3 ubiquitin ligase activity / DNA damage sensor activity / hemi-methylated DNA-binding / histone H3K9me2/3 reader activity / homologous recombination / regulation of epithelial cell proliferation / methyl-CpG binding / negative regulation of gene expression via chromosomal CpG island methylation / positive regulation of protein metabolic process ...positive regulation of DNA topoisomerase (ATP-hydrolyzing) activity / histone H3 ubiquitin ligase activity / DNA damage sensor activity / hemi-methylated DNA-binding / histone H3K9me2/3 reader activity / homologous recombination / regulation of epithelial cell proliferation / methyl-CpG binding / negative regulation of gene expression via chromosomal CpG island methylation / positive regulation of protein metabolic process / mitotic spindle assembly / heterochromatin / cis-regulatory region sequence-specific DNA binding / protein autoubiquitination / : / DNA methylation / Chromatin modifications during the maternal to zygotic transition (MZT) / epigenetic regulation of gene expression / replication fork / euchromatin / double-strand break repair via homologous recombination / RING-type E3 ubiquitin transferase / spindle / nuclear matrix / ubiquitin-protein transferase activity / ubiquitin protein ligase activity / heterochromatin formation / ubiquitin-dependent protein catabolic process / histone binding / nucleic acid binding / protein ubiquitination / DNA damage response / chromatin / negative regulation of transcription by RNA polymerase II / positive regulation of transcription by RNA polymerase II / zinc ion binding / nucleoplasm / identical protein binding / nucleus
Similarity search - Function
SRA-YDG / PUA domain-like / : / UHRF1, tandem tudor domain / Tandem tudor domain within UHRF1 / UHRF1/2-like / SRA-YDG / SRA-YDG superfamily / SAD/SRA domain / YDG domain profile. ...SRA-YDG / PUA domain-like / : / UHRF1, tandem tudor domain / Tandem tudor domain within UHRF1 / UHRF1/2-like / SRA-YDG / SRA-YDG superfamily / SAD/SRA domain / YDG domain profile. / SET and RING finger associated domain. Domain of unknown function in SET domain containing proteins and in Deinococcus radiodurans DRA1533. / PUA-like superfamily / PHD-finger / Zinc finger, RING-type, conserved site / Zinc finger RING-type signature. / Zinc finger PHD-type signature. / Ring finger / Zinc finger PHD-type profile. / Zinc finger, PHD-finger / Zinc finger, PHD-type / PHD zinc finger / Zinc finger, FYVE/PHD-type / Zinc finger RING-type profile. / Zinc finger, RING-type / Ubiquitin family / Ubiquitin homologues / Ubiquitin domain profile. / Ubiquitin-like domain / Zinc finger, RING/FYVE/PHD-type / Ubiquitin-like domain superfamily / Roll / Mainly Beta
Similarity search - Domain/homology
DNA / DNA (> 10) / E3 ubiquitin-protein ligase UHRF1
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.2 Å
AuthorsWalker, J.R. / Avvakumov, G.V. / Xue, S. / Dong, A. / Li, Y. / Bountra, C. / Weigelt, J. / Arrowsmith, C.H. / Edwards, A.M. / Bochkarev, A. ...Walker, J.R. / Avvakumov, G.V. / Xue, S. / Dong, A. / Li, Y. / Bountra, C. / Weigelt, J. / Arrowsmith, C.H. / Edwards, A.M. / Bochkarev, A. / Dhe-Paganon, S. / Structural Genomics Consortium (SGC)
CitationJournal: Nature / Year: 2008
Title: Structural basis for recognition of hemi-methylated DNA by the SRA domain of human UHRF1.
Authors: Avvakumov, G.V. / Walker, J.R. / Xue, S. / Li, Y. / Duan, S. / Bronner, C. / Arrowsmith, C.H. / Dhe-Paganon, S.
History
DepositionMar 20, 2008Deposition site: RCSB / Processing site: RCSB
Revision 1.0Apr 29, 2008Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2011Group: Version format compliance
Revision 1.2Aug 30, 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_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: E3 ubiquitin-protein ligase UHRF1
B: E3 ubiquitin-protein ligase UHRF1
C: E3 ubiquitin-protein ligase UHRF1
D: E3 ubiquitin-protein ligase UHRF1
E: 5'-D(*DGP*DGP*DGP*DCP*DCP*(5CM)P*DGP*DCP*DAP*DGP*DGP*DG)-3'
F: 5'-D(*DCP*DCP*DCP*DTP*DGP*DCP*DGP*DGP*DGP*DCP*DCP*DC)-3'
G: 5'-D(*DGP*DGP*DGP*DCP*DCP*(5CM)P*DGP*DCP*DAP*DGP*DGP*DG)-3'
H: 5'-D(*DCP*DCP*DCP*DTP*DGP*DCP*DGP*DGP*DGP*DCP*DCP*DC)-3'
I: 5'-D(*DGP*DGP*DGP*DCP*DCP*(5CM)P*DGP*DCP*DAP*DGP*DGP*DG)-3'
J: 5'-D(*DCP*DCP*DCP*DTP*DGP*DCP*DGP*DGP*DGP*DCP*DCP*DC)-3'
K: 5'-D(*DGP*DGP*DGP*DCP*DCP*(5CM)P*DGP*DCP*DAP*DGP*DGP*DG)-3'
L: 5'-D(*DCP*DCP*DCP*DTP*DGP*DCP*DGP*DGP*DGP*DCP*DCP*DC)-3'


Theoretical massNumber of molelcules
Total (without water)124,45312
Polymers124,45312
Non-polymers00
Water11,530640
1
A: E3 ubiquitin-protein ligase UHRF1
E: 5'-D(*DGP*DGP*DGP*DCP*DCP*(5CM)P*DGP*DCP*DAP*DGP*DGP*DG)-3'
F: 5'-D(*DCP*DCP*DCP*DTP*DGP*DCP*DGP*DGP*DGP*DCP*DCP*DC)-3'


Theoretical massNumber of molelcules
Total (without water)31,1133
Polymers31,1133
Non-polymers00
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3850 Å2
ΔGint-17.9 kcal/mol
Surface area13060 Å2
MethodPISA
2
B: E3 ubiquitin-protein ligase UHRF1
G: 5'-D(*DGP*DGP*DGP*DCP*DCP*(5CM)P*DGP*DCP*DAP*DGP*DGP*DG)-3'
H: 5'-D(*DCP*DCP*DCP*DTP*DGP*DCP*DGP*DGP*DGP*DCP*DCP*DC)-3'


Theoretical massNumber of molelcules
Total (without water)31,1133
Polymers31,1133
Non-polymers00
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3840 Å2
ΔGint-18.2 kcal/mol
Surface area13240 Å2
MethodPISA
3
C: E3 ubiquitin-protein ligase UHRF1
I: 5'-D(*DGP*DGP*DGP*DCP*DCP*(5CM)P*DGP*DCP*DAP*DGP*DGP*DG)-3'
J: 5'-D(*DCP*DCP*DCP*DTP*DGP*DCP*DGP*DGP*DGP*DCP*DCP*DC)-3'


Theoretical massNumber of molelcules
Total (without water)31,1133
Polymers31,1133
Non-polymers00
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3830 Å2
ΔGint-17.3 kcal/mol
Surface area12910 Å2
MethodPISA
4
D: E3 ubiquitin-protein ligase UHRF1
K: 5'-D(*DGP*DGP*DGP*DCP*DCP*(5CM)P*DGP*DCP*DAP*DGP*DGP*DG)-3'
L: 5'-D(*DCP*DCP*DCP*DTP*DGP*DCP*DGP*DGP*DGP*DCP*DCP*DC)-3'


Theoretical massNumber of molelcules
Total (without water)31,1133
Polymers31,1133
Non-polymers00
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3850 Å2
ΔGint-17.3 kcal/mol
Surface area13400 Å2
MethodPISA
Unit cell
Length a, b, c (Å)76.198, 111.359, 97.403
Angle α, β, γ (deg.)90.00, 90.53, 90.00
Int Tables number4
Space group name H-MP1211

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Components

#1: Protein
E3 ubiquitin-protein ligase UHRF1 / E.C.6.3.2.- / Ubiquitin-like PHD and RING finger domain-containing protein 1 / Ubiquitin-like-containing PHD and ...Ubiquitin-like PHD and RING finger domain-containing protein 1 / Ubiquitin-like-containing PHD and RING finger domains protein 1 / Inverted CCAAT box-binding protein of 90 kDa / Transcription factor ICBP90 / Nuclear zinc finger protein Np95 / Nuclear protein 95 / HuNp95 / RING finger protein 106


Mass: 23769.557 Da / Num. of mol.: 4 / Fragment: SRA DOMAIN (UNP residues 414-617)
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: UHRF1, ICBP90, NP95, RNF106 / Plasmid: PNIC-CH / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3)
References: UniProt: Q96T88, Ligases; Forming carbon-nitrogen bonds; Acid-amino-acid ligases (peptide synthases)
#2: DNA chain
5'-D(*DGP*DGP*DGP*DCP*DCP*(5CM)P*DGP*DCP*DAP*DGP*DGP*DG)-3'


Mass: 3743.444 Da / Num. of mol.: 4 / Source method: obtained synthetically
#3: DNA chain
5'-D(*DCP*DCP*DCP*DTP*DGP*DCP*DGP*DGP*DGP*DCP*DCP*DC)-3'


Mass: 3600.331 Da / Num. of mol.: 4 / Source method: obtained synthetically
#4: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 640 / 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: 3.25 Å3/Da / Density % sol: 61.84 %
Crystal growTemperature: 298 K / Method: vapor diffusion, hanging drop / pH: 7
Details: 12 % PEG 1500, 0.1 M BIS-TRIS, 0.2 M NACL, 0.001 M TCEP, pH 7.00, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Components of the solutions
IDNameCrystal-IDSol-ID
1PEG 150011
2BIS-TRIS11
3NACL11
4TCEP11
5H2O11
6PEG 150012
7BIS-TRIS12
8NACL12
9TCEP12
10H2O12

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 23-ID-B / Wavelength: 0.96863 / Wavelength: 0.96863 Å
DetectorType: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Feb 15, 2008 / Details: MIRRORS
RadiationMonochromator: DOUBLE CRYSTAL / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.96863 Å / Relative weight: 1
ReflectionResolution: 2.2→40 Å / Num. all: 81560 / Num. obs: 81560 / % possible obs: 99.2 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Redundancy: 4.2 % / Rsym value: 0.165 / Net I/σ(I): 9.77
Reflection shellResolution: 2.2→2.28 Å / Redundancy: 3.1 % / Mean I/σ(I) obs: 1.35 / Rsym value: 0.715 / % possible all: 95

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Processing

Software
NameVersionClassification
PHASERphasing
REFMAC5.2.0019refinement
HKL-2000data collection
HKL-2000data reduction
HKL-2000data scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 3BI7

3bi7


Resolution: 2.2→38.63 Å / Cor.coef. Fo:Fc: 0.967 / Cor.coef. Fo:Fc free: 0.949 / SU B: 11.023 / SU ML: 0.14 / Cross valid method: THROUGHOUT / ESU R: 0.2 / ESU R Free: 0.178 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL B FACTORS, ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U FACTORS.
RfactorNum. reflection% reflectionSelection details
Rfree0.23147 4085 5 %RANDOM
Rwork0.1888 ---
obs0.19097 77359 99 %-
all-81444 --
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL WITH MASK
Displacement parametersBiso mean: 35.141 Å2
Baniso -1Baniso -2Baniso -3
1-0.14 Å20 Å2-0.01 Å2
2---0.14 Å20 Å2
3----0.01 Å2
Refinement stepCycle: LAST / Resolution: 2.2→38.63 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6490 1948 0 652 9090
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0120.0218849
X-RAY DIFFRACTIONr_bond_other_d
X-RAY DIFFRACTIONr_angle_refined_deg1.6652.2212390
X-RAY DIFFRACTIONr_angle_other_deg
X-RAY DIFFRACTIONr_dihedral_angle_1_deg5.9635829
X-RAY DIFFRACTIONr_dihedral_angle_2_deg36.06222.982342
X-RAY DIFFRACTIONr_dihedral_angle_3_deg16.226151025
X-RAY DIFFRACTIONr_dihedral_angle_4_deg14.2341562
X-RAY DIFFRACTIONr_chiral_restr0.1210.21262
X-RAY DIFFRACTIONr_gen_planes_refined0.0060.026358
X-RAY DIFFRACTIONr_gen_planes_other
X-RAY DIFFRACTIONr_nbd_refined0.1940.23447
X-RAY DIFFRACTIONr_nbd_other
X-RAY DIFFRACTIONr_nbtor_refined0.3070.25673
X-RAY DIFFRACTIONr_nbtor_other
X-RAY DIFFRACTIONr_xyhbond_nbd_refined0.1350.2657
X-RAY DIFFRACTIONr_xyhbond_nbd_other
X-RAY DIFFRACTIONr_metal_ion_refined
X-RAY DIFFRACTIONr_metal_ion_other
X-RAY DIFFRACTIONr_symmetry_vdw_refined0.1630.2103
X-RAY DIFFRACTIONr_symmetry_vdw_other
X-RAY DIFFRACTIONr_symmetry_hbond_refined0.1530.216
X-RAY DIFFRACTIONr_symmetry_hbond_other
X-RAY DIFFRACTIONr_symmetry_metal_ion_refined
X-RAY DIFFRACTIONr_symmetry_metal_ion_other
X-RAY DIFFRACTIONr_mcbond_it1.45734163
X-RAY DIFFRACTIONr_mcbond_other
X-RAY DIFFRACTIONr_mcangle_it2.27146512
X-RAY DIFFRACTIONr_scbond_it2.79856110
X-RAY DIFFRACTIONr_scangle_it3.79275878
X-RAY DIFFRACTIONr_rigid_bond_restr
X-RAY DIFFRACTIONr_sphericity_free
X-RAY DIFFRACTIONr_sphericity_bonded
LS refinement shellResolution: 2.202→2.259 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.365 253 -
Rwork0.294 5314 -
obs--92.2 %
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)
12.48520.3088-1.71282.51011.97873.35840.02130.0770.3044-0.254-0.01870.1127-0.3722-0.0717-0.00260.0910.0125-0.0016-0.02130.02340.107832.8333-12.435312.975
27.86194.55050.80757.7706-1.90646.4844-0.0452-0.09810.7308-0.22140.05140.3427-0.3954-0.4822-0.00620.07440.05460.01760.0710.01280.116726.1658-15.23712.0499
32.76680.04340.09240.97990.15910.4886-0.0195-0.0519-0.27160.03550.01090.03390.0916-0.10070.00870.0983-0.01760.01250.07520.0130.098327.6723-29.418613.8916
44.67310.4431-2.52192.575-1.31363.9834-0.09920.5268-0.4844-0.12330.06070.09340.2923-0.4940.03850.0665-0.071-0.01820.0298-0.05460.082730.3969-34.16881.3775
52.2259-0.2495-0.31311.69221.27753.7955-0.04180.11940.0157-0.02160.0585-0.01280.0194-0.1318-0.01670.0871-0.0125-0.00890.03030.03010.128438.957-24.18688.2367
647.1274-14.8984-18.22086.51714.9027.4522-1.3181-2.1465-2.94071.01740.14130.57341.29720.0411.17670.16810.0018-0.01580.1350.06450.029139.4667-27.310824.8995
72.3406-0.0981-0.40811.120.46171.4577-0.0487-0.0201-0.24950.06580.02870.05050.1774-0.02640.020.0817-0.01670.00230.02220.02030.091835.2947-30.886212.7836
80.25370.6085-0.30787.40585.88137.74320.00810.03850.2875-0.1030.013-0.4978-0.48480.3352-0.0210.0225-0.0363-0.0110.0374-0.02450.147147.8423-17.695314.3418
913.5566-0.6298-3.3254.35631.75256.69710.3819-0.38231.10960.1567-0.1253-0.2534-0.45090.1341-0.25660.1143-0.0334-0.0152-0.0422-0.06360.166740.0534-6.853621.5878
1027.53372.476110.04220.726-3.297738.72140.6508-1.23791.22581.55670.12510.643-1.6313-3.3108-0.77590.29330.04230.28060.0148-0.25050.029923.6969-3.666934.1362
113.81560.4066-2.73552.267-1.93396.3250.2106-0.10980.50240.3712-0.0808-0.1119-0.44360.1836-0.12980.079-0.0030.0244-0.0641-0.03190.158467.1846-12.6249-12.1853
123.12670.1360.03961.5424-0.03772.4846-0.0136-0.1163-0.1185-0.01110.0531-0.07810.0253-0.0231-0.03950.10230.00260.01960.03270.00360.110967.6229-25.8259-11.9266
131.55040.587-0.56330.4613-0.18211.2536-0.04490.0811-0.3718-0.1794-0.072-0.1340.16910.18710.11690.09210.03040.02110.07540.00030.123676.5957-32.5904-16.8514
140.16540.1771-0.86465.82255.539811.93830.0634-0.1119-0.19320.07210.1022-0.56950.29580.4969-0.16560.04290.0365-0.01570.10530.03190.127172.3007-32.1864-3.7248
153.0370.3926-0.84921.1793-0.72432.84570.0577-0.3163-0.2180.0897-0.03320.02930.21280.3006-0.02450.07290.01130.00050.0391-0.00230.08961.5176-29.262-4.4808
164.7152.0828-1.04883.647-3.65245.456-0.20740.4620.0186-0.51840.2217-0.09190.3227-0.1177-0.01430.0411-0.0009-0.00020.04820.02730.075160.3753-20.9213-20.354
173.14940.2236-0.54791.6361-0.09311.8812-0.00140.1396-0.14490.0339-0.04580.06810.1209-0.14490.04730.10060.0019-0.00530.0733-0.02940.10260.3145-30.7371-11.6137
1813.8699-1.588-2.16597.7439-2.754610.90310.27310.24470.88550.1904-0.1010.6168-0.2165-0.3795-0.1721-0.04870.0934-0.03640.00560.13320.172151.9165-8.9187-19.9732
1910.86495.0072-3.973210.9508-7.98515.8347-0.304-0.33720.1603-0.35530.2527-0.1107-0.2882-0.08060.05130.1552-0.04550.0347-0.08230.02170.143972.0676-4.5866-27.1507
2026.73649.4123-4.396924.67660.882294.4887-0.30752.1313-0.0731-3.4290.2966-0.9207-0.59820.34610.01090.31320.03420.3421-0.3044-0.04070.421380.0208-2.9698-43.2642
212.29950.0040.81931.14130.76042.5060.0192-0.0631-0.23410.2593-0.00270.07620.3392-0.0152-0.01660.10380.0042-0.01420.0024-0.00350.121469.88-45.39735.9275
225.1981-0.20040.32451.91861.25151.67780.0463-0.4138-0.12180.21210.07970.14440.3279-0.1771-0.1260.1234-0.0013-0.00010.05870.02950.104765.0714-35.940841.2189
231.91830.32580.32910.69830.40340.7426-0.09350.15640.3353-0.07390.07110.0624-0.1273-0.03860.02240.09540.014-0.02780.04350.04690.112964.9878-25.412831.6385
244.08910.77423.68632.03130.23565.0309-0.0452-0.43130.46140.1477-0.00430.0477-0.3945-0.39310.04950.08050.06350.00820.0608-0.0480.090869.8502-23.497147.8147
254.00351.68431.38391.15281.93954.6249-0.11050.23170.044-0.15990.06750.0269-0.4213-0.21380.0430.1440.0437-0.0078-0.01210.03130.130275.9366-33.370136.4186
261.5354-0.04710.03373.02161.94941.456-0.01120.21130.1525-0.26450.00320.0101-0.2135-0.08210.00810.06740.01630.01540.0219-0.0020.09375.0501-29.847433.916
273.4402-0.36680.3092.63550.44262.3509-0.0548-0.0018-0.00330.07690.0131-0.16530.0730.22540.04170.0955-0.00650.00720.08540.02970.112378.0519-30.326636.2128
283.90922.89213.43520.03845.383610.08380.22270.4739-0.40030.1950.2104-1.07070.11230.9225-0.4331-0.01420.04650.0609-0.0372-0.1020.161585.1091-48.827928.7935
2920.15732.0731-4.22799.06728.578310.9407-0.1567-0.5628-1.8454-0.7141-0.62320.280.4311-1.14290.77990.0754-0.0013-0.09690.0013-0.09760.188666.578-52.122724.2012
301.3758-0.97496.32428.713.395536.80820.18411.99410.0581-1.0682-0.17991.57922.325-1.5792-0.00420.37-0.244-0.28480.4816-0.23230.083561.5391-54.689313.1759
313.18090.94442.39871.86281.93785.50990.1247-0.0886-0.4630.4396-0.08410.03130.4828-0.0594-0.04060.10460.0043-0.0377-0.07940.01210.16148.053610.426936.3503
322.4909-4.5679-4.466117.3215-3.477123.22460.53180.015-0.39730.5719-0.35320.41530.8795-0.9521-0.17850.0526-0.0311-0.0445-0.00370.02290.193943.188711.020837.8619
332.75360.28930.35781.38930.46533.0422-0.04550.03850.04210.01970.03820.0434-0.0691-0.01920.00730.09890.0086-0.01580.0226-0.00690.118646.756924.763536.6216
348.30466.46830.79017.29843.05212.7021-0.03760.15220.6092-0.3567-0.13930.2388-0.1556-0.07980.1770.08170.0579-0.05740.06590.03460.077732.047329.078829.6653
352.0012-0.35461.30352.186-1.22182.7528-0.0609-0.33370.23020.07620.07880.2086-0.1845-0.3935-0.01780.06020.0470.00580.0825-0.02090.078443.383931.444243.9641
362.45870.81361.22751.7971.46673.1349-0.044-0.0050.2258-0.0926-0.05160.118-0.2954-0.22250.09560.05980.0376-0.00760.04580.02160.092952.26326.981640.3962
372.48980.51920.561.92530.7941.3893-0.09950.15690.0543-0.1410.1542-0.0341-0.15640.1989-0.05470.0328-0.0058-0.0048-0.00630.01480.052152.249126.084934.0316
383.3179-0.00220.96032.6246-0.17613.0169-0.08390.0564-0.16070.1370.0248-0.126-0.01250.27750.05910.0987-0.0372-0.0010.05690.0030.123955.774224.93536.457
398.17813.37063.85353.82162.14073.0465-0.04820.1376-0.4664-0.21340.2759-0.41420.24230.3632-0.22770.13790.0461-0.017-0.0017-0.11970.220351.85514.642725.3136
4036.31612.544738.43971.841512.447697.8912-0.82242.8475-0.6797-1.35460.9201-0.6204-2.9014-0.2133-0.09780.3476-0.0078-0.156-0.1231-0.07170.045134.38770.59625.3811
4123.0384-5.274715.89535.5143-6.122512.3988-0.227-0.3352-0.98060.3560.46030.4933-0.4922-1.3742-0.23340.15480.03460.0020.15720.04490.021910.6257-24.73616.7457
426.6407-1.9333-2.27591.5739-0.34371.7814-0.0433-0.28680.1880.20470.0254-0.02070.2358-0.01820.01780.08450.0034-0.01180.0775-0.00960.101122.1025-23.171519.3638
4310.76773.0101-7.33294.5243-2.40557.12540.4881-0.54920.63450.22240.24890.2256-0.79950.3678-0.7370.1171-0.02040.05860.1266-0.03770.057613.9162-19.247333.3758
443.84150.3890.66520.4188-0.352813.65520.09870.0902-0.28920.23660.154-0.01440.23260.6239-0.25270.1350.02910.00610.0491-0.01960.114614.9428-25.329530.7322
453.9434-1.4644-1.52792.064-0.803310.50520.30390.51110.37390.22650.1474-0.0656-0.6325-0.7308-0.45130.0845-0.0221-0.02480.07350.04530.098316.0279-18.31749.4105
4614.1673.922111.99521.08643.373514.756-0.00590.1005-1.2258-0.44490.479-0.6365-0.56511.0458-0.47310.1061-0.0199-0.0290.2133-0.04130.079388.1848-24.8183-6.7992
472.95171.0329-0.75591.32960.42340.68240.1464-0.04920.3122-0.086-0.09020.15280.11650.2644-0.05610.1106-0.0107-0.01520.05310.0440.120576.6726-23.1825-19.4331
489.7888-2.943-7.24914.42853.57710.91190.47780.27320.5774-0.16660.2389-0.2913-0.6525-0.1288-0.71670.10290.01470.04930.11010.02480.074684.823-19.2581-33.5059
493.61230.18822.08431.1087-0.08077.52780.0896-0.1036-0.2148-0.2172-0.02580.09310.2378-0.3686-0.06390.1302-0.00890.01380.12850.00910.093683.8084-25.3166-30.8363
502.03350.6494-2.26291.41480.72794.26060.2666-0.43710.2497-0.206-0.08380.1344-0.57520.8748-0.18280.116-0.0138-0.03650.1616-0.01740.079882.7439-18.436-9.4013
5115.62854.3336-13.43321.304-3.222314.0155-0.15680.77390.7680.07010.41490.36690.1657-1.4881-0.25810.149-0.02260.04640.18310.05550.057348.3452-32.928541.7783
521.7032-0.19840.96892.3613-1.05080.92750.0255-0.0596-0.2663-0.14230.0286-0.0381-0.00620.0319-0.05410.09760.00170.02150.043-0.04330.099960.0321-34.622829.2172
536.7949-0.33245.68921.7772-0.379610.88750.59230.5655-0.7571-0.0980.35740.24640.98060.3598-0.94980.12540.0296-0.05060.0641-0.05140.104752.164-38.420415.1205
540.4218-0.8034-0.07711.5502-0.300710.14970.1612-0.05240.231-0.24260.2262-0.1074-0.28170.3851-0.38740.119-0.03840.00630.097-0.02250.09253.161-32.338517.8669
554.34831.44893.51743.59411.972713.81930.1806-0.2998-0.1737-0.20690.128-0.06060.7583-0.232-0.30860.115-0.0220.04690.02050.04420.089153.8513-39.355339.1657
5615.19492.7316-14.68010.4912-2.657616.95340.00510.34291.0721-0.36780.36380.46750.5057-1.2601-0.3690.12880.04120.03910.18480.06320.074125.789822.934641.9846
573.21520.97521.82830.91270.49481.0454-0.09280.2115-0.0783-0.02730.12920.03270.14050.2838-0.03640.0852-0.00430.01920.1228-0.00460.080637.452521.129229.3939
589.1822-2.98146.89674.3745-4.734711.82810.65850.6892-0.7006-0.19540.16820.36350.70610.5423-0.82660.13730.0256-0.050.057-0.04280.085329.631717.35915.2372
593.11890.6841-1.6950.154-0.49684.86920.04220.11630.2946-0.060.257-0.3888-0.3620.256-0.29930.1267-0.01290.00040.0946-0.01980.073432.746624.883714.1217
606.2090.01922.09187.3618-10.508815.72430.0383-0.8247-0.5372-0.22570.0213-0.06440.8858-0.2941-0.05970.11480.0058-0.00050.0293-0.01570.03127.696817.526828.8353
616.8076-0.11432.54754.2976-1.48051.43450.1409-0.4663-0.116-0.0496-0.005-0.03090.5782-0.0581-0.13590.0542-0.02330.04320.17420.03290.04932.719217.657943.3597
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
1X-RAY DIFFRACTION1AI416 - 4374 - 25
2X-RAY DIFFRACTION2AI438 - 44726 - 35
3X-RAY DIFFRACTION3AI448 - 49836 - 86
4X-RAY DIFFRACTION4AI499 - 52387 - 111
5X-RAY DIFFRACTION5AI524 - 540112 - 128
6X-RAY DIFFRACTION6AI541 - 547129 - 135
7X-RAY DIFFRACTION7AI548 - 581136 - 169
8X-RAY DIFFRACTION8AI582 - 594170 - 182
9X-RAY DIFFRACTION9AI595 - 610183 - 198
10X-RAY DIFFRACTION10AI611 - 619199 - 207
11X-RAY DIFFRACTION11BJ415 - 4433 - 31
12X-RAY DIFFRACTION12BJ444 - 47532 - 63
13X-RAY DIFFRACTION13BJ476 - 49864 - 86
14X-RAY DIFFRACTION14BJ499 - 51087 - 98
15X-RAY DIFFRACTION15BJ511 - 54099 - 128
16X-RAY DIFFRACTION16BJ541 - 559129 - 147
17X-RAY DIFFRACTION17BJ560 - 592148 - 180
18X-RAY DIFFRACTION18BJ593 - 604181 - 192
19X-RAY DIFFRACTION19BJ605 - 616193 - 204
20X-RAY DIFFRACTION20BJ - N617 - 626205 - 2
21X-RAY DIFFRACTION21CK416 - 4424 - 30
22X-RAY DIFFRACTION22CK443 - 46231 - 50
23X-RAY DIFFRACTION23CK463 - 50051 - 88
24X-RAY DIFFRACTION24CK501 - 52589 - 113
25X-RAY DIFFRACTION25CK526 - 545114 - 133
26X-RAY DIFFRACTION26CK546 - 571134 - 159
27X-RAY DIFFRACTION27CK572 - 592160 - 180
28X-RAY DIFFRACTION28CK593 - 604181 - 192
29X-RAY DIFFRACTION29CK605 - 611193 - 199
30X-RAY DIFFRACTION30CK612 - 619200 - 207
31X-RAY DIFFRACTION31DL416 - 4364 - 24
32X-RAY DIFFRACTION32DL437 - 44325 - 31
33X-RAY DIFFRACTION33DL444 - 48132 - 69
34X-RAY DIFFRACTION34DL482 - 49470 - 82
35X-RAY DIFFRACTION35DL495 - 51583 - 103
36X-RAY DIFFRACTION36DL516 - 545104 - 133
37X-RAY DIFFRACTION37DL546 - 572134 - 160
38X-RAY DIFFRACTION38DL573 - 592161 - 180
39X-RAY DIFFRACTION39DL593 - 616181 - 204
40X-RAY DIFFRACTION40DL - P617 - 625205 - 1
41X-RAY DIFFRACTION41EA1 - 41 - 4
42X-RAY DIFFRACTION42EA5 - 85 - 8
43X-RAY DIFFRACTION43EA9 - 129 - 12
44X-RAY DIFFRACTION44FB1 - 61 - 6
45X-RAY DIFFRACTION45FB7 - 127 - 12
46X-RAY DIFFRACTION46GC1 - 41 - 4
47X-RAY DIFFRACTION47GC5 - 85 - 8
48X-RAY DIFFRACTION48GC9 - 129 - 12
49X-RAY DIFFRACTION49HD1 - 61 - 6
50X-RAY DIFFRACTION50HD7 - 127 - 12
51X-RAY DIFFRACTION51IE1 - 41 - 4
52X-RAY DIFFRACTION52IE5 - 85 - 8
53X-RAY DIFFRACTION53IE9 - 129 - 12
54X-RAY DIFFRACTION54JF1 - 61 - 6
55X-RAY DIFFRACTION55JF7 - 127 - 12
56X-RAY DIFFRACTION56KG1 - 41 - 4
57X-RAY DIFFRACTION57KG5 - 85 - 8
58X-RAY DIFFRACTION58KG9 - 129 - 12
59X-RAY DIFFRACTION59LH1 - 41 - 4
60X-RAY DIFFRACTION60LH5 - 85 - 8
61X-RAY DIFFRACTION61LH9 - 129 - 12

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