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- PDB-4zux: SAGA DUB module Ubp8/Sgf11/Sus1/Sgf73 bound to ubiqitinated nucleosome -

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Basic information

Entry
Database: PDB / ID: 4zux
TitleSAGA DUB module Ubp8/Sgf11/Sus1/Sgf73 bound to ubiqitinated nucleosome
Components
  • (DNA (145-MER)) x 2
  • (SAGA-associated factor ...) x 2
  • Histone H2A type 1
  • Histone H2B 1.1
  • Histone H3.2
  • Histone H4
  • Polyubiquitin-B
  • Transcription and mRNA export factor SUS1
  • Ubiquitin carboxyl-terminal hydrolase 8
KeywordsHydrolase/DNA / DUB / deubiquitinase / USP / chromatin / eraser / nucleosome / modified histone / macromolecular complex / Hydrolase-DNA complex
Function / homology
Function and homology information


RITS complex assembly / DUBm complex / : / regulation of nucleocytoplasmic transport / transcription export complex 2 / post-transcriptional tethering of RNA polymerase II gene DNA at nuclear periphery / nuclear mRNA surveillance / SLIK (SAGA-like) complex / regulation of protein localization to chromatin / hypothalamus gonadotrophin-releasing hormone neuron development ...RITS complex assembly / DUBm complex / : / regulation of nucleocytoplasmic transport / transcription export complex 2 / post-transcriptional tethering of RNA polymerase II gene DNA at nuclear periphery / nuclear mRNA surveillance / SLIK (SAGA-like) complex / regulation of protein localization to chromatin / hypothalamus gonadotrophin-releasing hormone neuron development / SAGA complex / female meiosis I / positive regulation of protein monoubiquitination / mitochondrion transport along microtubule / poly(A)+ mRNA export from nucleus / fat pad development / female gonad development / seminiferous tubule development / male meiosis I / positive regulation of intrinsic apoptotic signaling pathway by p53 class mediator / enzyme activator activity / positive regulation of RNA polymerase II transcription preinitiation complex assembly / regulation of proteasomal protein catabolic process / mRNA export from nucleus / energy homeostasis / nuclear pore / regulation of neuron apoptotic process / Maturation of protein E / Maturation of protein E / ER Quality Control Compartment (ERQC) / Myoclonic epilepsy of Lafora / FLT3 signaling by CBL mutants / Prevention of phagosomal-lysosomal fusion / IRAK2 mediated activation of TAK1 complex / Alpha-protein kinase 1 signaling pathway / Glycogen synthesis / IRAK1 recruits IKK complex / IRAK1 recruits IKK complex upon TLR7/8 or 9 stimulation / Membrane binding and targetting of GAG proteins / Constitutive Signaling by NOTCH1 HD Domain Mutants / NOTCH2 Activation and Transmission of Signal to the Nucleus / Endosomal Sorting Complex Required For Transport (ESCRT) / IRAK2 mediated activation of TAK1 complex upon TLR7/8 or 9 stimulation / Regulation of FZD by ubiquitination / PTK6 Regulates RTKs and Their Effectors AKT1 and DOK1 / Negative regulation of FLT3 / TICAM1,TRAF6-dependent induction of TAK1 complex / TICAM1-dependent activation of IRF3/IRF7 / APC/C:Cdc20 mediated degradation of Cyclin B / p75NTR recruits signalling complexes / Downregulation of ERBB4 signaling / TRAF6 mediated IRF7 activation in TLR7/8 or 9 signaling / PINK1-PRKN Mediated Mitophagy / APC-Cdc20 mediated degradation of Nek2A / TRAF6-mediated induction of TAK1 complex within TLR4 complex / InlA-mediated entry of Listeria monocytogenes into host cells / Pexophagy / Regulation of innate immune responses to cytosolic DNA / VLDLR internalisation and degradation / Downregulation of ERBB2:ERBB3 signaling / NRIF signals cell death from the nucleus / Regulation of BACH1 activity / Activated NOTCH1 Transmits Signal to the Nucleus / Translesion synthesis by REV1 / NF-kB is activated and signals survival / Regulation of PTEN localization / Translesion synthesis by POLK / Synthesis of active ubiquitin: roles of E1 and E2 enzymes / MAP3K8 (TPL2)-dependent MAPK1/3 activation / Translesion synthesis by POLI / Gap-filling DNA repair synthesis and ligation in GG-NER / TICAM1, RIP1-mediated IKK complex recruitment / Downregulation of TGF-beta receptor signaling / Josephin domain DUBs / Activation of IRF3, IRF7 mediated by TBK1, IKBKE / Regulation of activated PAK-2p34 by proteasome mediated degradation / InlB-mediated entry of Listeria monocytogenes into host cell / IKK complex recruitment mediated by RIP1 / RNA splicing / JNK (c-Jun kinases) phosphorylation and activation mediated by activated human TAK1 / neuron projection morphogenesis / regulation of mitochondrial membrane potential / TGF-beta receptor signaling in EMT (epithelial to mesenchymal transition) / N-glycan trimming in the ER and Calnexin/Calreticulin cycle / Autodegradation of Cdh1 by Cdh1:APC/C / TNFR1-induced NF-kappa-B signaling pathway / APC/C:Cdc20 mediated degradation of Securin / positive regulation of protein ubiquitination / Asymmetric localization of PCP proteins / TCF dependent signaling in response to WNT / SCF-beta-TrCP mediated degradation of Emi1 / Regulation of NF-kappa B signaling / NIK-->noncanonical NF-kB signaling / Ubiquitin-dependent degradation of Cyclin D / AUF1 (hnRNP D0) binds and destabilizes mRNA / transcription elongation by RNA polymerase II / Degradation of DVL / Negative regulators of DDX58/IFIH1 signaling / NOTCH3 Activation and Transmission of Signal to the Nucleus / TNFR2 non-canonical NF-kB pathway
Similarity search - Function
Yeast SAGA-associated factor 11, N-terminal domain / SAGA-associated factor 11 N-terminal domain / ENY2/SUS1 / SAGA complex, Sgf11 subunit / SAGA-associated factor 73, zinc finger domain / Sgf11 (transcriptional regulation protein) / Zinc finger domain / Transcription factor, enhancer of yellow 2 / Transcription factor EnY2 superfamily / Transcription factor e(y)2 ...Yeast SAGA-associated factor 11, N-terminal domain / SAGA-associated factor 11 N-terminal domain / ENY2/SUS1 / SAGA complex, Sgf11 subunit / SAGA-associated factor 73, zinc finger domain / Sgf11 (transcriptional regulation protein) / Zinc finger domain / Transcription factor, enhancer of yellow 2 / Transcription factor EnY2 superfamily / Transcription factor e(y)2 / SAGA-associated factor 73 / SCA7 domain / SCA7, zinc-binding domain / SCA7 domain profile. / Ubiquitin Carboxyl-terminal Hydrolase-like zinc finger / Zinc finger, UBP-type / Zn-finger in ubiquitin-hydrolases and other protein / Zinc finger UBP-type profile. / Ubiquitin specific protease (USP) domain signature 2. / Ubiquitin specific protease (USP) domain signature 1. / Ubiquitin specific protease, conserved site / Peptidase C19, ubiquitin carboxyl-terminal hydrolase / Ubiquitin carboxyl-terminal hydrolase / Serum Albumin; Chain A, Domain 1 / Ubiquitin specific protease domain / Ubiquitin specific protease (USP) domain profile. / Histone, subunit A / Histone, subunit A / Cysteine proteinases / Cathepsin B; Chain A / Zinc/RING finger domain, C3HC4 (zinc finger) / Herpes Virus-1 / Histone H2B signature. / Histone H2B / Histone H2B / Histone H2A conserved site / Histone H2A signature. / Histone H2A, C-terminal domain / C-terminus of histone H2A / Histone H2A / Histone 2A / Histone H4, conserved site / Histone H4 signature. / Histone H4 / Histone H4 / CENP-T/Histone H4, histone fold / Centromere kinetochore component CENP-T histone fold / TATA box binding protein associated factor / TATA box binding protein associated factor (TAF), histone-like fold domain / Papain-like cysteine peptidase superfamily / Histone H3 signature 1. / Histone H3 signature 2. / Histone H3 / Histone H3/CENP-A / Ubiquitin conserved site / Ubiquitin domain signature. / Ubiquitin domain / Histone H2A/H2B/H3 / Core histone H2A/H2B/H3/H4 / Histone-fold / Ubiquitin family / Ubiquitin homologues / Ubiquitin domain profile. / Ubiquitin-like domain / Ubiquitin-like domain superfamily / Zinc finger, RING/FYVE/PHD-type / Alpha-Beta Complex / 2-Layer Sandwich / Orthogonal Bundle / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
DNA / DNA (> 10) / DNA (> 100) / SAGA-associated factor 11 / Histone H2B 1.1 / Histone H2A type 1 / Polyubiquitin-B / Ubiquitin carboxyl-terminal hydrolase 8 / SAGA-associated factor 73 / Histone H4 ...DNA / DNA (> 10) / DNA (> 100) / SAGA-associated factor 11 / Histone H2B 1.1 / Histone H2A type 1 / Polyubiquitin-B / Ubiquitin carboxyl-terminal hydrolase 8 / SAGA-associated factor 73 / Histone H4 / Histone H3.2 / SAGA-associated factor 11 / Transcription and mRNA export factor SUS1
Similarity search - Component
Biological speciesXenopus laevis (African clawed frog)
synthetic construct (others)
Saccharomyces cerevisiae (brewer's yeast)
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / Resolution: 3.82 Å
AuthorsMorgan, M. / Wolberger, C.
CitationJournal: Science / Year: 2016
Title: Structural basis for histone H2B deubiquitination by the SAGA DUB module.
Authors: Morgan, M.T. / Haj-Yahya, M. / Ringel, A.E. / Bandi, P. / Brik, A. / Wolberger, C.
History
DepositionMay 17, 2015Deposition site: RCSB / Processing site: RCSB
Revision 1.0Feb 24, 2016Provider: repository / Type: Initial release
Revision 1.1Mar 2, 2016Group: Derived calculations
Revision 1.2Mar 9, 2016Group: Database references

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Histone H3.2
B: Histone H4
C: Histone H2A type 1
D: Histone H2B 1.1
E: Histone H3.2
F: Histone H4
G: Histone H2A type 1
H: Histone H2B 1.1
I: DNA (145-MER)
J: DNA (145-MER)
K: Histone H3.2
L: Histone H4
M: Histone H2A type 1
N: Histone H2B 1.1
O: Histone H3.2
P: Histone H4
Q: Histone H2A type 1
R: Histone H2B 1.1
S: DNA (145-MER)
T: DNA (145-MER)
U: Ubiquitin carboxyl-terminal hydrolase 8
V: Transcription and mRNA export factor SUS1
W: SAGA-associated factor 11
X: Polyubiquitin-B
Y: SAGA-associated factor 73
Z: Ubiquitin carboxyl-terminal hydrolase 8
a: Transcription and mRNA export factor SUS1
b: SAGA-associated factor 11
c: Polyubiquitin-B
d: SAGA-associated factor 73
e: Ubiquitin carboxyl-terminal hydrolase 8
f: Transcription and mRNA export factor SUS1
g: SAGA-associated factor 11
h: Polyubiquitin-B
i: SAGA-associated factor 73
j: Ubiquitin carboxyl-terminal hydrolase 8
k: Transcription and mRNA export factor SUS1
l: SAGA-associated factor 11
m: Polyubiquitin-B
n: SAGA-associated factor 73
hetero molecules


Theoretical massNumber of molelcules
Total (without water)784,45072
Polymers782,35740
Non-polymers2,09332
Water0
1
A: Histone H3.2
B: Histone H4
C: Histone H2A type 1
D: Histone H2B 1.1
E: Histone H3.2
F: Histone H4
G: Histone H2A type 1
H: Histone H2B 1.1
I: DNA (145-MER)
J: DNA (145-MER)
U: Ubiquitin carboxyl-terminal hydrolase 8
V: Transcription and mRNA export factor SUS1
W: SAGA-associated factor 11
X: Polyubiquitin-B
Y: SAGA-associated factor 73
Z: Ubiquitin carboxyl-terminal hydrolase 8
a: Transcription and mRNA export factor SUS1
b: SAGA-associated factor 11
c: Polyubiquitin-B
d: SAGA-associated factor 73
hetero molecules


Theoretical massNumber of molelcules
Total (without water)392,22536
Polymers391,17920
Non-polymers1,04716
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
K: Histone H3.2
L: Histone H4
M: Histone H2A type 1
N: Histone H2B 1.1
O: Histone H3.2
P: Histone H4
Q: Histone H2A type 1
R: Histone H2B 1.1
S: DNA (145-MER)
T: DNA (145-MER)
e: Ubiquitin carboxyl-terminal hydrolase 8
f: Transcription and mRNA export factor SUS1
g: SAGA-associated factor 11
h: Polyubiquitin-B
i: SAGA-associated factor 73
j: Ubiquitin carboxyl-terminal hydrolase 8
k: Transcription and mRNA export factor SUS1
l: SAGA-associated factor 11
m: Polyubiquitin-B
n: SAGA-associated factor 73
hetero molecules


Theoretical massNumber of molelcules
Total (without water)392,22536
Polymers391,17920
Non-polymers1,04716
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)178.804, 179.174, 353.819
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121

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Components

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Protein , 7 types, 28 molecules AEKOBFLPCGMQDHNRUZejVafkXchm

#1: Protein
Histone H3.2


Mass: 15435.126 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Xenopus laevis (African clawed frog) / Production host: Escherichia coli (E. coli) / References: UniProt: P84233
#2: Protein
Histone H4 /


Mass: 11394.426 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Xenopus laevis (African clawed frog) / Production host: Escherichia coli (E. coli) / References: UniProt: P62799
#3: Protein
Histone H2A type 1


Mass: 14109.436 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Xenopus laevis (African clawed frog) / Production host: Escherichia coli (E. coli) / References: UniProt: P06897
#4: Protein
Histone H2B 1.1 / H2B1.1


Mass: 13655.948 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Xenopus laevis (African clawed frog) / Production host: Escherichia coli (E. coli) / References: UniProt: P02281
#7: Protein
Ubiquitin carboxyl-terminal hydrolase 8 / Deubiquitinating enzyme 8 / Ubiquitin thioesterase 8 / Ubiquitin-specific-processing protease 8


Mass: 53731.281 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / Gene: UBP8, YMR223W, YM9959.05 / Production host: Escherichia coli (E. coli) / References: UniProt: P50102, ubiquitinyl hydrolase 1
#8: Protein
Transcription and mRNA export factor SUS1


Mass: 11094.497 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / Gene: SUS1, YBR111W-A / Production host: Escherichia coli (E. coli) / References: UniProt: Q6WNK7
#10: Protein
Polyubiquitin-B


Mass: 8576.831 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: UBB / Production host: Escherichia coli (E. coli) / References: UniProt: P0CG47

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DNA chain , 2 types, 4 molecules ISJT

#5: DNA chain DNA (145-MER)


Mass: 44520.383 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) synthetic construct (others) / Production host: Escherichia coli (E. coli)
#6: DNA chain DNA (145-MER)


Mass: 44991.660 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) synthetic construct (others) / Production host: Escherichia coli (E. coli)

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SAGA-associated factor ... , 2 types, 8 molecules WbglYdin

#9: Protein
SAGA-associated factor 11


Mass: 11297.625 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Saccharomyces cerevisiae (strain YJM789) (yeast)
Strain: YJM789 / Gene: SGF11, SCY_5678 / Production host: Escherichia coli (E. coli) / References: UniProt: A6ZWK1, UniProt: Q03067*PLUS
#11: Protein
SAGA-associated factor 73 / 73 kDa SAGA-associated factor / SAGA histone acetyltransferase complex 73 kDa subunit


Mass: 11538.081 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / Gene: SGF73, YGL066W / Production host: Escherichia coli (E. coli) / References: UniProt: P53165

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Non-polymers , 1 types, 32 molecules

#12: Chemical...
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 32 / Source method: obtained synthetically / Formula: Zn

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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: 3.65 Å3/Da / Density % sol: 66.28 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop
Details: 50 mM Tris-acetate pH 7.4, 50 mM sodium acetate, 5 mM Mg-acetate, 5% sucrose and 5% 2-propanol

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 23-ID-D / Wavelength: 1.0332 Å
DetectorType: PSI PILATUS 6M / Detector: PIXEL / Date: Oct 14, 2014
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.0332 Å / Relative weight: 1
ReflectionResolution: 3.693→49.5 Å / Num. obs: 121413 / % possible obs: 99.28 % / Redundancy: 7.12 % / Rmerge(I) obs: 0.1053 / Net I/σ(I): 7.12

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Processing

Software
NameVersionClassification
PHENIX1.9_1692refinement
XDSdata reduction
Aimlessdata scaling
Cootmodel building
RefinementResolution: 3.82→49.498 Å / Cross valid method: FREE R-VALUE / σ(F): 1.97 / Phase error: 49.29 / Stereochemistry target values: TWIN_LSQ_F
RfactorNum. reflection% reflection
Rfree0.2559 3456 1.64 %
Rwork0.2338 --
obs0.2369 210557 98.93 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 3.82→49.498 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms37169 11878 32 0 49079
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00551211
X-RAY DIFFRACTIONf_angle_d1.02371446
X-RAY DIFFRACTIONf_dihedral_angle_d24.33420103
X-RAY DIFFRACTIONf_chiral_restr0.0458075
X-RAY DIFFRACTIONf_plane_restr0.0057104
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.8672-3.93220.41361930.40659800X-RAY DIFFRACTION97
3.9322-4.00170.37961930.37389735X-RAY DIFFRACTION98
4.0017-4.07640.34681930.35359819X-RAY DIFFRACTION98
4.0764-4.15710.39281910.34939738X-RAY DIFFRACTION97
4.1571-4.24450.35651900.33879620X-RAY DIFFRACTION97
4.2445-4.33980.3162700.33099855X-RAY DIFFRACTION98
4.3398-4.44420.34341230.32179885X-RAY DIFFRACTION98
4.4442-4.55950.29971920.32219711X-RAY DIFFRACTION98
4.5595-4.68780.27651990.31769836X-RAY DIFFRACTION98
4.6878-4.83190.30411980.3149808X-RAY DIFFRACTION98
4.8319-4.99550.33051940.3119678X-RAY DIFFRACTION97
4.9955-5.18370.29032000.29959733X-RAY DIFFRACTION97
5.1837-5.404000.29839867X-RAY DIFFRACTION99
5.404-5.66720.29931850.31139554X-RAY DIFFRACTION96
5.6672-5.99060.33541900.29619691X-RAY DIFFRACTION97
5.9906-6.40320.34811930.2769741X-RAY DIFFRACTION97
6.4032-6.95970.31021810.25819665X-RAY DIFFRACTION97
6.9597-7.77970.28111770.22629584X-RAY DIFFRACTION96
7.7797-9.20730.15451820.18579436X-RAY DIFFRACTION94
9.2073-13.16170.17521840.14249735X-RAY DIFFRACTION97
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
11.16522.24130.09545.35851.4111.0458-0.0485-0.2944-0.3506-0.59170.6885-0.2841-0.2834-0.29840.00061.1446-0.0649-0.02932.05940.12111.505-72.454-42.3122-14.532
23.7717-3.69251.35663.3713-1.02544.6788-0.2891-1.1222-0.2306-1.26620.8829-0.99270.2613-0.3597-0.00111.1416-0.2787-0.04391.6581-0.1871.3383-77.009-34.1066-11.9282
31.7848-1.82420.49252.2540.05192.49860.1143-0.34180.3002-0.03250.1881-0.48660.32120.0197-0.00021.26550.2187-0.08921.5877-0.05731.4645-74.9706-23.164116.6247
43.5422-1.9044-1.25266.2922-1.7832.95760.00290.7943-0.3530.63441.2156-0.7282-0.593-1.57980.08571.13-0.0284-0.38631.4682-0.06471.4415-76.0752-14.80612.48
54.54012.2265-0.46763.96631.65352.77010.17470.5778-0.84651.32210.5586-0.98520.1026-0.19040.01481.11570.0956-0.47932.0449-0.27921.6685-55.2092-42.090216.3679
65.16560.4875-1.25924.92941.75722.7628-0.11190.92950.32681.69920.83252.05270.68220.49350.08311.32170.4468-0.61761.75760.12471.3996-51.7818-33.902713.5968
70.42971.2242-0.22223.0519-0.41551.07430.07450.0260.2677-0.18460.2333-0.9378-0.0422-0.066901.3201-0.22890.03251.8066-0.2461.9654-52.5869-23.2082-15.6361
82.43640.110.19144.28021.0272.2332-0.0613-0.8861-0.804-0.35541.23730.41810.03311.3116-0.00051.28090.1202-0.26121.7606-0.03981.8213-51.2637-15.5976-10.8624
91.0556-0.099-0.08022.12760.27881.29720.04910.052-0.10690.07540.013-0.3259-0.0396-0.078501.5301-0.0468-0.15071.9945-0.03291.8305-64.1244-28.87711.2039
101.09540.3483-0.03851.99860.13331.51610.02260.0206-0.0005-0.01760.0152-0.4758-0.0957-0.0445-01.50410.1233-0.24451.96790.07551.8035-63.5443-29.08020.8369
112.2061-0.95260.42614.1283-0.2883-0.05910.28970.35860.9055-0.58160.52170.20860.04990.80150.00122.02930.01940.11431.6190.14291.627.9674-10.407677.5316
121.4446-0.283-1.14523.58640.13974.9114-0.2590.55570.94230.9596-0.47870.82040.6660.52710.00011.30540.00180.13741.2560.2831.66310.4523-14.862973.7653
130.9766-0.16941.58311.8220.43232.5226-0.0477-0.2705-0.3993-0.2546-0.17740.6779-0.32480.0406-0.00031.6996-0.1144-0.13761.5114-0.01441.7871-27.0797-12.948186.5148
143.6108-0.77460.2144.7963-1.60113.1331-0.5581-0.39190.0191-0.59270.1467-0.79430.8398-0.3849-0.00061.58590.1622-0.08680.9176-0.19981.8302-30.2555-14.315378.0929
155.1122-2.16221.82683.73341.94013.17550.4073-0.49870.40080.0765-0.31870.19420.6-0.67650.00011.6897-0.09630.12111.3051-0.11081.7793-13.89836.909598.9786
165.61880.9526-2.30084.6034-2.23621.55940.6738-1.7230.8508-1.6489-0.5226-0.65842.5357-2.2349-0.11882.1927-0.7036-0.11921.7562-0.12451.1658-17.25139.965891.7308
172.2782-0.6368-1.13531.00311.17491.5370.19590.55250.0144-0.8212-0.0764-0.0173-0.12380.192702.0962-0.0489-0.10051.4790.22491.5304-5.17129.544863.3425
183.761.08440.30341.6299-1.040.83311.50.57481.17070.0267-0.83970.3347-0.0737-0.24490.02542.22040.2612-0.21891.2806-0.1971.4202-13.607110.348861.1754
190.77190.01690.47661.4708-0.29890.98750.12980.16540.0716-0.1225-0.15050.0784-0.1086-0.0275-01.85460.0779-0.05022.11760.01121.7401-12.32-2.249779.3405
200.96560.01310.55471.1752-0.21211.33290.0420.10980.0945-0.0977-0.02740.0748-0.289-0.068801.9896-0.05220.05381.9826-0.15871.8168-11.9315-1.687379.1528
213.0241-0.3462-0.8561.8849-1.45692.1142-0.1347-0.36530.3091-0.0533-0.06060.0833-0.13650.12560.00011.38440.09180.03791.57960.15351.7894-121.3942-5.378315.6115
223.5142-0.1808-2.12263.1223-1.31023.34790.1835-0.09071.4262-1.3550.0643-0.73240.4871-0.17960.00031.7455-0.03650.44351.33370.35862.4697-134.928416.958316.0906
231.74470.3315-0.59254.5313-0.286-0.1414-0.2638-0.87430.43541.07670.0493-0.03920.26890.9436-0.11951.5467-0.2-0.04522.2534-0.20361.4153-110.8583-0.17725.6854
242.08260.4338-0.23342.2192-0.5452.48811.10452.396-1.09350.0890.2825-0.02140.4365-1.84380.14131.50340.31320.27832.4730.13691.7563-110.8878-20.6314-8.1776
251.82352.277-1.00723.1157-2.21673.22-0.2924-0.09361.2285-0.7514-0.34510.1170.9643-0.6027-0.0871.1783-0.04340.15852.3642-0.25331.9564-136.7874-5.508622.3862
260.91920.2704-0.37742.06670.88443.0829-0.10660.36990.3408-0.1858-0.0330.0692-0.1406-0.060801.4253-0.10490.18581.7828-0.14212.3754-5.6793-5.8061-16.5308
273.4467-0.4964-3.03360.52861.35543.84970.78330.5072.66671.3317-0.24621.18620.77260.19820.00182.10270.01610.3291.34540.02162.7847.583316.9524-18.9223
280.22720.7756-0.38211.3016-1.10610.5613-0.23890.4302-0.1628-1.8172-0.596-0.50270.0518-0.6543-0.01522.0320.16710.11122.2751-0.00672.3388-17.3852-1.2844-26.7244
290.90330.4823-0.63131.43340.18742.53151.3711-0.8814-0.5041-0.10740.2992-0.06632.0216-0.23230.08261.3649-0.36880.03611.8614-0.25442.428-15.3016-19.79698.7924
300.09690.31390.6512.3748-0.10322.8814-0.54191.20741.2814-0.041-0.0917-0.57131.23381.3147-0.26261.1729-0.27910.31122.1251-0.06632.832610.359-4.1798-22.9857
311.18110.83860.18933.6404-0.79852.1533-0.01340.24970.1029-0.1250.07130.6953-0.3194-0.2112-0.00021.59460.021-0.41151.6636-0.13091.6126-39.5447-60.120972.6962
323.6668-0.10311.12451.73921.11222.3086-1.5027-0.17520.4010.08640.31370.5531-0.24542.1963-0.0182.2792-0.1016-0.77862.30340.03482.0327-56.7027-72.916457.2458
332.3607-0.88870.86761.721-0.93520.6160.80390.3189-0.97520.45040.52840.9732-1.6605-0.7230.80131.4563-0.0055-0.19882.12890.28162.4109-50.4147-49.424177.1521
341.96251.38740.97671.72080.61220.516-0.01590.08771.4293-0.7477-0.2927-1.4127-0.25910.70210.0011.94290.0864-0.41092.1624-0.02432.1839-12.2342-48.952265.724
352.6330.1727-0.77190.0346-0.52432.6144-0.3445-0.5442-0.8386-0.07760.13742.03241.081.1742-0.17141.8658-0.1561-0.49411.13540.0292.8541-45.149-76.335275.0431
361.3880.54490.22261.35680.1080.7978-0.2810.06870.1944-0.45380.1980.54960.0751-0.07610.00011.79610.1173-0.28881.66040.40221.9203-16.645855.534849.879
374.4518-0.1160.78652.172-1.51191.75051.3242-1.6209-0.0046-0.8573-0.36610.24350.9921-1.01940.00171.9076-0.2825-0.56362.3990.56652.1224-30.44667.079931.7764
381.03090.77380.25461.2592-1.51662.2731-0.18730.901-0.2409-0.6969-0.28370.06890.30120.4993-0.00072.3916-0.2086-0.06571.85610.01521.5534-13.7345.448939.0107
392.81991.3046-0.0791.68730.43630.6958-0.3618-1.74380.90251.1760.76090.34240.49610.56880.01812.01240.1755-0.43311.340.29452.1877-24.934346.442877.8844
401.75911.0441-1.04630.4589-0.52861.28530.1880.94351.547-0.89060.2980.64140.48130.41120.68822.5065-0.0966-0.31561.02260.57132.5254-13.617471.082343.8789
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1(chain 'A' and resid 38 through 134)
2X-RAY DIFFRACTION2(chain 'B' and resid 20 through 102)
3X-RAY DIFFRACTION3(chain 'C' and resid 16 through 118)
4X-RAY DIFFRACTION4(chain 'D' and resid 28 through 122)
5X-RAY DIFFRACTION5(chain 'E' and resid 39 through 135)
6X-RAY DIFFRACTION6(chain 'F' and resid 25 through 102)
7X-RAY DIFFRACTION7(chain 'G' and resid 14 through 118)
8X-RAY DIFFRACTION8(chain 'H' and resid 29 through 121)
9X-RAY DIFFRACTION9(chain 'I' and resid -72 through 72)
10X-RAY DIFFRACTION10(chain 'J' and resid -72 through 72)
11X-RAY DIFFRACTION11(chain 'K' and resid 38 through 134)
12X-RAY DIFFRACTION12(chain 'L' and resid 20 through 102)
13X-RAY DIFFRACTION13(chain 'M' and resid 16 through 118)
14X-RAY DIFFRACTION14(chain 'N' and resid 28 through 122)
15X-RAY DIFFRACTION15(chain 'O' and resid 39 through 135)
16X-RAY DIFFRACTION16(chain 'P' and resid 25 through 102)
17X-RAY DIFFRACTION17(chain 'Q' and resid 14 through 118)
18X-RAY DIFFRACTION18(chain 'R' and resid 29 through 121)
19X-RAY DIFFRACTION19(chain 'S' and resid -72 through 72)
20X-RAY DIFFRACTION20(chain 'T' and resid -72 through 72)
21X-RAY DIFFRACTION21(chain 'U' and resid 0 through 471)
22X-RAY DIFFRACTION22(chain 'V' and resid 5 through 93)
23X-RAY DIFFRACTION23(chain 'W' and resid 6 through 95)
24X-RAY DIFFRACTION24(chain 'X' and resid 1 through 76)
25X-RAY DIFFRACTION25(chain 'Y' and resid 11 through 98)
26X-RAY DIFFRACTION26(chain 'Z' and resid 0 through 471)
27X-RAY DIFFRACTION27(chain 'a' and resid 5 through 95)
28X-RAY DIFFRACTION28(chain 'b' and resid 7 through 95)
29X-RAY DIFFRACTION29(chain 'c' and resid 1 through 76)
30X-RAY DIFFRACTION30(chain 'd' and resid 5 through 98)
31X-RAY DIFFRACTION31(chain 'e' and resid 0 through 471)
32X-RAY DIFFRACTION32(chain 'f' and resid 10 through 95)
33X-RAY DIFFRACTION33(chain 'g' and resid 6 through 95)
34X-RAY DIFFRACTION34(chain 'h' and resid 1 through 76)
35X-RAY DIFFRACTION35(chain 'i' and resid 5 through 98)
36X-RAY DIFFRACTION36(chain 'j' and resid 0 through 471)
37X-RAY DIFFRACTION37(chain 'k' and resid 5 through 90)
38X-RAY DIFFRACTION38(chain 'l' and resid 3 through 95)
39X-RAY DIFFRACTION39(chain 'm' and resid 1 through 76)
40X-RAY DIFFRACTION40(chain 'n' and resid 5 through 98)

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