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- PDB-5j9t: Crystal structure of the NuA4 core complex -

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Basic information

Entry
Database: PDB / ID: 5j9t
TitleCrystal structure of the NuA4 core complex
Components
  • Chromatin modification-related protein EAF6
  • Chromatin modification-related protein YNG2
  • Enhancer of polycomb-like protein 1
  • Histone acetyltransferase ESA1
KeywordsTRANSFERASE / NuA4 / nucleosome / histone / acetylation
Function / homology
Function and homology information


PI5P Regulates TP53 Acetylation / NuA3b histone acetyltransferase complex / NuA3a histone acetyltransferase complex / NuA3 histone acetyltransferase complex / DNA Damage/Telomere Stress Induced Senescence / Sensing of DNA Double Strand Breaks / piccolo histone acetyltransferase complex / peptide 2-hydroxyisobutyryltransferase activity / histone crotonyltransferase activity / positive regulation of triglyceride biosynthetic process ...PI5P Regulates TP53 Acetylation / NuA3b histone acetyltransferase complex / NuA3a histone acetyltransferase complex / NuA3 histone acetyltransferase complex / DNA Damage/Telomere Stress Induced Senescence / Sensing of DNA Double Strand Breaks / piccolo histone acetyltransferase complex / peptide 2-hydroxyisobutyryltransferase activity / histone crotonyltransferase activity / positive regulation of triglyceride biosynthetic process / SUMOylation of transcription cofactors / DNA-templated transcription elongation / histone H4 acetyltransferase activity / rDNA heterochromatin formation / Recruitment and ATM-mediated phosphorylation of repair and signaling proteins at DNA double strand breaks / histone H3K4me3 reader activity / protein-lysine-acetyltransferase activity / : / NuA4 histone acetyltransferase complex / Estrogen-dependent gene expression / positive regulation of macroautophagy / histone acetyltransferase activity / histone acetyltransferase / Transferases; Acyltransferases; Transferring groups other than aminoacyl groups / transcription coregulator activity / meiotic cell cycle / positive regulation of transcription elongation by RNA polymerase II / nucleosome / regulation of cell cycle / chromatin remodeling / DNA repair / DNA-templated transcription / chromatin binding / regulation of DNA-templated transcription / regulation of transcription by RNA polymerase II / chromatin / zinc ion binding / nucleus / cytosol
Similarity search - Function
Chromatin modification-related protein Eaf6 / Histone acetyltransferase subunit NuA4 / Inhibitor of growth protein, N-terminal histone-binding / Inhibitor of growth proteins N-terminal histone-binding / Inhibitor of growth proteins N-terminal histone-binding / ING family / Enhancer of polycomb protein / : / MYST, zinc finger domain / MYST family zinc finger domain ...Chromatin modification-related protein Eaf6 / Histone acetyltransferase subunit NuA4 / Inhibitor of growth protein, N-terminal histone-binding / Inhibitor of growth proteins N-terminal histone-binding / Inhibitor of growth proteins N-terminal histone-binding / ING family / Enhancer of polycomb protein / : / MYST, zinc finger domain / MYST family zinc finger domain / Histone acetyltransferase domain, MYST-type / MOZ/SAS family / MYST-type histone acetyltransferase (HAT) domain profile. / RNA binding activity-knot of a chromodomain / RNA binding activity-knot of a chromodomain / Chromo/chromo shadow domain / Chromatin organization modifier domain / Enhancer of polycomb-like, N-terminal / Enhancer of polycomb-like / Chromo-like domain superfamily / Zinc finger, PHD-type, conserved site / PHD-finger / Acyl-CoA N-acyltransferase / Zinc finger PHD-type signature. / Zinc finger PHD-type profile. / Zinc finger, PHD-finger / Zinc finger, PHD-type / PHD zinc finger / Zinc finger, FYVE/PHD-type / Zinc finger, RING/FYVE/PHD-type / Winged helix-like DNA-binding domain superfamily
Similarity search - Domain/homology
Chromatin modification-related protein YNG2 / Enhancer of polycomb-like protein 1 / Chromatin modification-related protein EAF6 / Histone acetyltransferase ESA1
Similarity search - Component
Biological speciesSaccharomyces cerevisiae (brewer's yeast)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.7 Å
AuthorsChen, Z.C. / Xu, P.
CitationJournal: Mol Cell / Year: 2016
Title: The NuA4 Core Complex Acetylates Nucleosomal Histone H4 through a Double Recognition Mechanism.
Authors: Peng Xu / Chengmin Li / Zhihong Chen / Shuanying Jiang / Shilong Fan / Jiawei Wang / Junbiao Dai / Ping Zhu / Zhucheng Chen /
Abstract: NuA4 catalyzes the acetylation of nucleosomes at histone H4, which is a well-established epigenetic event, controlling many genomic processes in Saccharomyces cerevisiae. Here we report the crystal ...NuA4 catalyzes the acetylation of nucleosomes at histone H4, which is a well-established epigenetic event, controlling many genomic processes in Saccharomyces cerevisiae. Here we report the crystal structures of the NuA4 core complex and a cryoelectron microscopy structure with the nucleosome. The structures show that the histone-binding pocket of the enzyme is rearranged, suggesting its activation. The enzyme binds the histone tail mainly through the target lysine residue, with a preference for a small residue at the -1 position. The complex engages the nucleosome at the dish face and orients its catalytic pocket close to the H4 tail to achieve selective acetylation. The combined data reveal a space-sequence double recognition mechanism of the histone tails by a modifying enzyme in the context of the nucleosome.
History
DepositionApr 11, 2016Deposition site: RCSB / Processing site: PDBJ
Revision 1.0Oct 26, 2016Provider: repository / Type: Initial release
Revision 1.1Oct 16, 2024Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Structure summary
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / citation / database_2 / pdbx_entry_details / pdbx_modification_feature / pdbx_struct_oper_list
Item: _citation.journal_id_CSD / _database_2.pdbx_DOI ..._citation.journal_id_CSD / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_oper_list.symmetry_operation

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
E: Histone acetyltransferase ESA1
F: Chromatin modification-related protein EAF6
G: Enhancer of polycomb-like protein 1
H: Chromatin modification-related protein YNG2
A: Histone acetyltransferase ESA1
B: Chromatin modification-related protein EAF6
C: Enhancer of polycomb-like protein 1
D: Chromatin modification-related protein YNG2
I: Histone acetyltransferase ESA1
J: Chromatin modification-related protein EAF6
K: Enhancer of polycomb-like protein 1
L: Chromatin modification-related protein YNG2


Theoretical massNumber of molelcules
Total (without water)289,86612
Polymers289,86612
Non-polymers00
Water5,405300
1
E: Histone acetyltransferase ESA1
F: Chromatin modification-related protein EAF6
G: Enhancer of polycomb-like protein 1
H: Chromatin modification-related protein YNG2


Theoretical massNumber of molelcules
Total (without water)96,6224
Polymers96,6224
Non-polymers00
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area15830 Å2
ΔGint-84 kcal/mol
Surface area38140 Å2
MethodPISA
2
A: Histone acetyltransferase ESA1
B: Chromatin modification-related protein EAF6
C: Enhancer of polycomb-like protein 1
D: Chromatin modification-related protein YNG2


Theoretical massNumber of molelcules
Total (without water)96,6224
Polymers96,6224
Non-polymers00
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area16010 Å2
ΔGint-88 kcal/mol
Surface area38390 Å2
MethodPISA
3
I: Histone acetyltransferase ESA1
J: Chromatin modification-related protein EAF6
K: Enhancer of polycomb-like protein 1
L: Chromatin modification-related protein YNG2


Theoretical massNumber of molelcules
Total (without water)96,6224
Polymers96,6224
Non-polymers00
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area16070 Å2
ΔGint-87 kcal/mol
Surface area38310 Å2
MethodPISA
Unit cell
Length a, b, c (Å)86.685, 137.582, 168.076
Angle α, β, γ (deg.)90.00, 97.63, 90.00
Int Tables number4
Space group name H-MP1211

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Components

#1: Protein Histone acetyltransferase ESA1


Mass: 36556.883 Da / Num. of mol.: 3 / Fragment: UNP residues 141-445 / Mutation: E338Q
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / Gene: ESA1, YOR244W, O5257 / Production host: Escherichia coli (E. coli) / References: UniProt: Q08649, histone acetyltransferase
#2: Protein Chromatin modification-related protein EAF6 / ESA1-associated factor 6


Mass: 12915.704 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / Gene: EAF6, YJR082C, J1854 / Production host: Escherichia coli (E. coli) / References: UniProt: P47128
#3: Protein Enhancer of polycomb-like protein 1


Mass: 33320.547 Da / Num. of mol.: 3 / Fragment: UNP residues 50-400
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / Gene: EPL1, YFL024C / Production host: Escherichia coli (E. coli) / References: UniProt: P43572
#4: Protein Chromatin modification-related protein YNG2 / ESA1-associated factor 4 / ING1 homolog 2


Mass: 13828.894 Da / Num. of mol.: 3 / Fragment: UNP residues 1-120
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / Gene: YNG2, EAF4, NBN1, YHR090C / Production host: Escherichia coli (E. coli) / References: UniProt: P38806
#5: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 300 / 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: 3.43 Å3/Da / Density % sol: 64.11 %
Crystal growTemperature: 289 K / Method: evaporation
Details: 100mM HEPES (pH 7.5), 6% 1,6-Hexanediol, 7% PEG 8000, 5% ethylene glycol, 10mM DTT.

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Data collection

DiffractionMean temperature: 173 K
Diffraction sourceSource: SYNCHROTRON / Site: SSRF / Beamline: BL17U / Wavelength: 0.987 Å
DetectorType: ADSC QUANTUM 4r / Detector: CCD / Date: Dec 27, 2014
RadiationProtocol: LAUE / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.987 Å / Relative weight: 1
ReflectionResolution: 2.7→30 Å / Num. obs: 106451 / % possible obs: 99.8 % / Redundancy: 3.4 % / Net I/σ(I): 12.9

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Processing

Software
NameVersionClassification
PHENIX(1.10.1_2155: ???)refinement
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.7→29.971 Å / SU ML: 0.35 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 24.64
RfactorNum. reflection% reflection
Rfree0.2193 1998 1.88 %
Rwork0.1871 --
obs0.1877 106451 99.34 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Refinement stepCycle: LAST / Resolution: 2.7→29.971 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms18581 0 0 300 18881
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00418961
X-RAY DIFFRACTIONf_angle_d0.70425520
X-RAY DIFFRACTIONf_dihedral_angle_d13.82211614
X-RAY DIFFRACTIONf_chiral_restr0.0432731
X-RAY DIFFRACTIONf_plane_restr0.0043297
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.7-2.76750.35991330.2866982X-RAY DIFFRACTION94
2.7675-2.84220.32411440.27417490X-RAY DIFFRACTION100
2.8422-2.92580.34021420.26717477X-RAY DIFFRACTION100
2.9258-3.02020.33481430.25377473X-RAY DIFFRACTION100
3.0202-3.1280.26621440.23487525X-RAY DIFFRACTION100
3.128-3.25310.26761430.22957462X-RAY DIFFRACTION100
3.2531-3.4010.24131430.22157477X-RAY DIFFRACTION100
3.401-3.580.25761430.19817499X-RAY DIFFRACTION100
3.58-3.80390.20811430.17767467X-RAY DIFFRACTION100
3.8039-4.09690.19171440.16667545X-RAY DIFFRACTION100
4.0969-4.50790.14891440.14387494X-RAY DIFFRACTION100
4.5079-5.15740.17871440.14657487X-RAY DIFFRACTION100
5.1574-6.48690.23341430.19417508X-RAY DIFFRACTION99
6.4869-29.97260.17021450.15457567X-RAY DIFFRACTION99
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)
12.8065-0.0558-0.20146.1502-2.56613.80480.1394-0.77930.03220.51820.10090.29760.27890.255-0.24890.53430.0225-0.03020.5999-0.02440.35392.8326-5.9184-17.7307
21.38730.42050.20791.3767-0.26721.8649-0.0317-0.05610.09150.0799-0.01950.01870.00930.06380.03160.27870.0313-0.00820.3135-0.00470.31120.8429-7.853-31.9591
32.0057-1.90141.83064.0849-1.79745.8921-0.64050.06321.27170.0188-0.32940.2192-1.1731-0.01790.77410.61590.0256-0.06440.4233-0.02610.6302-0.98319.0639-38.5764
43.2799-0.9467-0.61591.6683-0.42381.1799-0.0549-0.23410.05190.1830.00460.24850.0473-0.17580.02280.25570.00710.00920.3513-0.03260.3354-16.9236-7.4271-29.0817
51.3580.4415-1.01793.20520.75981.97260.00380.0372-0.2204-0.08080.01640.85040.054-0.5265-0.09050.3424-0.00480.00860.6323-0.07660.6575-36.9509-7.6953-27.2865
62.80171.8468-0.32574.5505-1.27282.0849-0.030.0404-0.72250.2011-0.06010.1964-0.1581-0.50880.03580.45380.04870.09360.5069-0.07140.7209-37.31851.1463-23.4816
72.7823-0.1020.15673.35640.56613.9497-0.09360.14160.30230.06450.15960.55380.249-0.3495-0.10930.35530.1049-0.02480.45950.01270.472-18.511-4.311-41.6713
8-0.0089-0.00820.0152-0.0065-0.0017-0.0074-0.6312-0.63250.23690.41680.1725-0.1445-0.25060.18370.33351.1625-0.2847-0.11531.13290.21631.177738.500223.8173-72.2048
97.55112.57521.05924.63660.7242.6162-0.411-0.05350.1674-0.0922-0.0215-0.41470.33730.69050.52270.6516-0.2357-0.08930.83130.09220.741726.198514.2472-75.5608
105.97533.85811.69287.21810.98563.0389-0.37340.87330.3114-1.14880.30430.09080.33440.14830.13650.4977-0.0704-0.03670.46050.04610.34159.18584.0822-75.9965
113.41381.24780.52475.62850.41691.62610.21650.0861-0.4906-0.37510.13060.3183-0.0389-0.1004-0.25070.5263-0.1692-0.0340.53230.11630.411-4.8341-8.5957-73.3317
121.8378-1.04840.76751.6695-0.32183.20140.0241-0.31570.1195-0.4357-0.34560.48150.3627-0.03280.25380.5178-0.0973-0.07060.5440.15840.8511-11.4881-9.5419-65.379
131.7234-1.76690.32191.8074-0.27692.7939-0.49270.1853-0.0816-0.04030.86140.1782-0.0487-0.33860.0140.4903-0.0948-0.04260.39380.03860.4594-4.94711.0339-67.9445
145.7777-0.72273.25742.0066-3.93072.010.62030.2460.4992-0.87730.14830.6498-0.3665-1.0783-0.54280.73540.0711-0.03590.67590.08040.5456-6.63888.6831-73.2388
151.6368-0.77710.47041.14310.17130.4071-0.01290.05770.51410.0421-0.0035-0.4002-0.02880.30120.00050.357-0.0143-0.00110.58050.02540.454616.6247-1.6078-37.966
162.49380.9043-1.91883.9711-2.26664.9917-0.19930.0966-0.2282-0.5035-0.0962-0.63750.71370.3530.2160.58520.17420.04940.614-0.0090.500926.8571-24.2757-40.1727
173.5787-1.5012-1.16772.67742.24845.68380.4327-0.3729-0.0739-0.03010.2691-1.01780.33091.2746-0.62190.4610.0344-0.04240.6850.02780.709314.9345-7.115-57.1463
181.48781.3669-0.52022.4736-1.14854.20150.09520.38760.1673-0.2321-0.1022-0.3637-0.18480.0324-0.09480.4120.14040.03240.73660.06090.563328.0547-12.3025-39.2236
192.59861.0341.16561.990.94452.58350.1113-0.0522-0.57410.07640.0287-0.33780.68580.2436-0.08920.44040.1159-0.04520.40680.0170.45646.1063-23.9852-27.0743
201.60870.86260.81482.33340.37993.03690.1767-0.26740.03330.39920.23750.28890.1634-0.4406-0.34420.5842-0.1034-0.09810.40470.06780.5473-8.1976-33.9864-54.702
210.6370.45230.11391.8614-1.23091.8872-0.28740.26620.0829-0.05310.182-0.5975-0.31960.40380.00510.4734-0.1701-0.0250.55250.02480.591214.90619.3586-70.1691
221.03421.21850.34381.45160.72734.854-0.1865-0.4293-0.77470.22480.3240.41840.47720.2099-0.21510.4904-0.0734-0.09180.40420.07430.5084-3.2474-30.7784-54.1129
232.54360.55980.30697.55061.45551.39160.0399-0.127-0.07730.65520.25470.06310.1519-0.4748-0.23910.3393-0.07020.02970.43580.020.3763-4.8875-12.2921-54.3072
243.66953.2004-0.58519.6575-2.47442.7209-0.239-0.03430.61880.43610.68450.0558-0.5948-0.5191-0.40940.5409-0.0069-0.04810.4398-0.00580.51081.916713.9579-63.4058
253.22121.4968-1.29581.6715-0.42051.08330.09790.39891.16560.45670.2679-0.2097-0.63420.0991-0.29951.1276-0.3484-0.08660.77890.23541.120315.777731-75.3602
260.33560.7729-0.04134.5092-2.43071.9542-0.2384-0.13460.956-0.1334-0.50360.0975-0.56240.10140.65551.036-0.234-0.06230.70480.01090.890514.652927.5319-63.4723
271.08260.90330.31153.7078-0.5571.3126-0.0924-0.1310.0129-0.05-0.0179-0.1918-0.18080.11230.08550.3101-0.0235-0.02720.3461-0.01160.33846.5459-6.534-58.0077
280.3239-0.893-1.00952.89681.61546.2373-0.28830.8824-1.1515-0.52080.2451-0.59871.46610.0789-0.06960.7589-0.01240.05120.5667-0.13650.6973.7596-34.6355-61.145
292.69250.15920.1482.621-0.57725.2260.1663-0.2837-0.41430.2099-0.2953-0.20451.02680.34820.31190.5449-0.00380.03510.43140.08040.5802-30.5191-4.688512.5639
302.00530.4672-0.37271.6839-0.36222.1397-0.12310.1602-0.21570.014-0.0012-0.22330.03860.11160.10330.2853-0.02190.03020.34380.03610.3098-27.93568.65155.9622
312.86970.10540.04220.2378-0.46893.2731-0.0453-0.2268-0.48840.1788-0.1873-0.39480.14980.36810.24740.31390.02510.05180.51250.11860.6544-10.95045.87679.3449
322.0807-0.60670.51772.06080.86351.8214-0.3575-0.2051-0.39960.06810.2710.3135-0.00820.71890.08040.42440.0638-0.02530.96450.18540.88336.02783.60389.1749
336.66896.39353.42546.10153.28431.7608-0.0119-0.26680.07410.14830.01250.01580.2381-0.0210.09740.76110.27640.22021.61470.21951.288819.32993.824819.9365
342.48490.62052.02721.6760.83543.81090.0235-0.5248-1.06350.10430.09180.11310.38770.3104-0.07350.57050.12140.04911.01650.0021.15538.7851-4.71724.5125
352.447-0.3307-0.21763.31250.15872.7257-0.21130.1067-0.1936-0.03750.1186-0.2644-0.05780.74450.03710.3573-0.01140.09660.71010.15320.6194-9.023214.1352-0.7818
360.11510.2778-0.6840.869-1.90834.3779-0.15490.36170.1320.2209-0.04280.2851-0.0864-0.28030.14231.43840.1161-0.41111.08710.04870.8485-55.897330.4901-43.0982
376.82512.10265.38552.09761.86126.0405-0.11210.52260.7615-0.6286-0.20870.5116-0.3141-0.00290.42390.8408-0.0245-0.12030.41890.0690.605-41.001637.4508-30.7932
380.50790.8825-0.15481.98241.15995.0570.1409-0.0910.4223-0.3641-0.1163-0.3791-0.46490.17950.01890.767-0.2309-0.03130.57230.12850.5383-24.109344.663-15.0799
392.7474-0.5454-1.66010.18380.25721.0942-0.1815-0.85330.15450.28390.3565-0.144-0.56150.2584-0.06530.6624-0.1006-0.01721.240.00270.4642-18.791437.9394-3.3402
401.78470.0669-0.60711.49731.48968.1665-0.028-0.3137-0.61040.02450.4724-0.5394-0.41350.3047-0.39520.75080.04790.08791.21180.09990.9202-14.436738.552-11.7981
410.412-0.335-0.83350.25980.66421.7210.1783-0.06130.2009-0.0758-0.6857-0.6392-0.23630.21120.37650.7524-0.19720.09890.61420.08820.3924-22.245335.2357-17.4359
422.0065-0.2061-2.81641.05850.10593.99170.47270.72380.7142-0.34120.0488-0.9159-0.44920.6735-0.34580.8262-0.1160.31931.03630.00550.954-19.714635.2417-26.9413
431.72320.1016-0.55060.68990.37021.00120.00270.3231-0.132-0.05940.02170.07850.1156-0.2192-0.03780.4026-0.05560.02330.4950.0340.3323-39.22428.55-2.3796
441.4932-0.3462-0.01662.1640.07892.8498-0.02660.24950.3099-0.02630.04740.1862-0.5624-0.4543-0.02990.43060.07560.06530.57250.14590.503-55.531820.37428.8482
453.1365-2.2862-0.82045.59190.56373.50240.1040.2768-0.3768-0.1174-0.17560.98370.0986-0.62120.15620.4788-0.0759-0.01770.55470.04970.5643-42.698228.7125-8.8183
461.9159-0.18951.1592.4941-1.04583.76960.01370.40470.1259-0.0050.15680.4407-0.5055-0.356-0.08490.4350.04890.04150.64570.15490.5291-56.778816.65546.8129
470.2431-0.1807-0.5130.31840.53182.3686-0.1052-0.95870.0760.8364-0.03280.3818-0.2634-0.24730.14260.57850.0640.05640.662-0.00020.3704-34.982712.181424.8308
481.6632-0.43870.90840.74480.62463.9126-0.0771-0.03140.15080.02880.07520.09990.0050.2359-0.07540.6082-0.1633-0.07720.5170.01740.5112-23.091642.582214.2259
490.9846-0.06570.53271.1249-0.41352.4833-0.13720.1680.0472-0.74170.00360.3637-0.2273-0.2140.07760.773-0.0766-0.16760.47920.02610.4214-40.737831.6651-32.9718
502.11411.5137-0.29067.27943.79562.01690.1569-0.5629-0.29850.49170.01290.39560.61440.4139-0.29680.5619-0.09-0.13810.46790.05630.4825-25.648936.35312.4957
511.87610.42282.33191.6442-0.38743.4582-0.06020.20990.13660.1415-0.1412-0.36190.30830.50770.11880.4273-0.11190.01640.47480.08970.3915-23.321827.8763-8.5598
525.50020.4485.13184.8615-2.61566.731-0.02620.03540.0319-0.1269-0.2233-0.33040.23221.1310.32450.6384-0.08080.09240.52780.04340.3913-25.772523.9765-26.1516
531.7866-0.60963.15610.2133-1.09515.61730.03180.2231-0.0602-1.2855-0.34640.2829-0.10570.35140.1191.0487-0.01050.02490.63680.04270.6061-32.238723.9061-40.0342
541.4829-1.2111.00162.1331-1.43562.7092-0.68510.38360.2367-0.95130.35940.2742-0.12190.18530.31071.5333-0.042-0.16860.8791-0.01280.6578-39.658222.473-51.2801
551.6829-0.05250.90841.81511.0744.46740.0702-0.0457-0.3292-0.4481-0.1959-0.03250.0286-0.24960.11450.5495-0.0614-0.00650.33550.04430.383-35.028524.2782-19.5048
566.26220.0379-0.78962.05363.2498.5929-0.1097-0.20970.74510.0977-0.78910.7753-0.665-0.39160.82450.7637-0.011-0.10150.5525-0.03240.5049-34.664742.892111.2461
572.43180.57632.12048.32042.16192.08180.0234-0.12210.4828-0.50850.41870.3514-0.4805-0.3091-0.32050.577-0.02280.07260.34450.07020.567-26.715899.1029-69.1353
581.84070.4884-0.12651.8955-0.21991.2148-0.09270.094-0.05740.03140.0602-0.1107-0.02910.04030.01520.30960.01020.01290.230.02960.2871-31.389482.8449-64.8089
592.83910.02370.89021.31020.14520.6394-0.1228-0.15750.12080.00930.0090.0451-0.1825-0.21130.10270.31470.05230.02070.27920.04680.284-50.847886.6662-65.449
602.1026-1.56531.10551.272-0.34783.4043-0.3347-0.5369-0.18720.22550.39220.2877-0.1868-1.45610.03490.46680.13980.12110.78520.08350.4439-67.087887.6816-64.2887
619.53951.2155-7.83681.5471-0.87682.00760.3174-0.04370.14640.4936-0.48280.55470.1882-0.23310.21270.86890.24350.09790.6908-0.13570.8136-77.186895.2783-60.078
622.1626-0.6811-1.09562.13211.29272.8374-0.0641-0.19630.1026-0.14560.15780.2082-0.13840.18830.02440.37850.09850.00860.6261-0.01320.4475-67.643686.8858-76.5164
633.75110.28251.06413.4990.65545.67070.214-0.1252-0.43340.262-0.13430.24750.0235-0.51260.20090.37150.04-0.02770.38270.06650.4578-50.151373.7135-61.3518
648.1593-0.1751-2.8261.88490.51958.4191-0.2897-0.67940.37480.2563-0.0803-0.0046-0.59590.33620.32090.64420.205-0.16780.622-0.17230.5568-4.24428.667-77.023
657.147-3.6851-2.43939.66993.72228.2408-0.0384-0.5658-0.0940.84360.70750.03610.29660.5582-0.80890.69460.2452-0.10970.4494-0.020.4258-15.433832.3567-65.7661
663.00080.781-0.97662.52540.56717.3971-0.2344-0.2309-0.65960.57340.3090.33120.99770.0347-0.04480.6620.0973-0.02860.35240.02550.4566-26.384537.0343-57.5724
673.6838-0.5579-0.78387.34694.54366.96590.3917-0.8307-0.1310.5383-0.0299-0.11260.5417-0.3697-0.22170.77990.05680.1350.42270.12610.4558-37.780447.5686-43.0533
684.3691-0.1089-0.59661.6213-1.74413.37460.1762-0.10870.34280.6074-0.26150.8848-0.1309-0.9447-0.05170.5714-0.01350.1550.55680.00380.6144-43.606255.7842-45.5935
693.4277-0.5579-1.86070.2974-0.5734.8921-0.62760.6077-0.42050.03320.46460.51471.2651-0.1480.20170.7547-0.07890.1020.4184-0.05630.3719-38.468346.8261-55.8893
70-0.00260.0028-0.0016-0.0020.003-0.001-0.03850.1549-0.12720.41530.49550.09750.34270.2433-0.42260.80650.0855-0.12211.1368-0.41670.9352-41.729641.3561-62.361
711.43460.5881-0.36340.7080.25731.3306-0.07610.1582-0.2846-0.0550.0242-0.41090.08510.30160.06140.4050.05920.07760.35920.0480.5525-17.875374.415-67.9662
721.5941-0.0924-0.17672.86490.62272.4365-0.1009-0.1804-0.31370.76640.1206-0.53190.21310.4820.04580.46260.0404-0.11420.56060.19170.7504-4.6679.5913-50.3879
732.5936-0.34611.39184.0078-1.03013.31830.36590.24740.02460.0024-0.2523-0.93930.10081.0051-0.13270.45830.0674-0.05570.6068-0.12210.668-16.810358.6577-55.6237
741.9906-1.2761-0.32512.7185-0.02311.56480.0264-0.2166-0.49150.06140.0145-0.45290.28340.274-0.02060.4318-0.01-0.12860.4260.10540.8236-4.542180.7096-56.1757
750.77991.41550.83863.0851.85151.1301-0.0414-0.82930.45931.2778-0.1537-0.7049-1.46680.6718-0.02530.6896-0.0617-0.21720.5352-0.05790.3917-25.196497.972-49.4736
761.8679-0.2179-0.22391.51060.71281.48260.2119-0.15550.1077-0.48750.05820.096-0.49650.0156-0.20240.58880.02120.13320.4421-0.01320.3573-35.4871.1322-30.9808
770.9166-1.0314-0.94222.46252.36972.7261-0.20.0317-0.11150.32270.35680.01350.54180.5411-0.20370.53760.0909-0.01590.4026-0.07880.3549-20.850337.523-68.0288
780.694-0.4198-1.25746.4309-1.98473.44930.2868-0.51350.7322-0.0430.0351-0.4655-0.48670.4197-0.30060.72790.02920.19610.6044-0.18110.4329-31.373.7059-32.6063
797.21664.70927.34893.45953.1842.0216-0.2999-0.00411.2051-0.4656-0.37440.529-1.121-0.28240.33470.56440.07640.05580.3738-0.04610.4959-34.990170.6939-43.4605
800.5222-0.7718-0.436.12544.92955.3797-0.10830.12370.0934-0.9201-0.33720.7741-0.5105-0.32460.19680.42420.0457-0.01940.29840.00960.3674-36.610456.7278-58.736
811.8842-0.4077-1.62468.06514.84216.1343-0.13780.6455-0.4779-0.1827-0.23410.5743-0.1037-0.18720.26960.43220.0335-0.01810.3855-0.07480.4202-33.377542.3667-74.0325
825.7879-3.15190.02336.0858-1.08093.4498-0.12260.2936-0.27730.3222-0.06860.78190.6352-0.10680.13090.56240.0011-0.01360.4004-0.10110.4017-27.246228.0653-81.7918
830.607-0.51-0.74572.06771.90722.8221-0.19320.115-0.0378-0.49610.13690.1902-0.51720.49160.01660.4366-0.0233-0.02480.3477-0.02750.3188-25.176447.4731-71.3373
845.61850.98132.36526.1218-0.03984.33750.2556-0.81450.18171.25310.3574-0.38010.32281.4831-0.20660.64110.05480.02830.7545-0.17440.4423-24.026466.8975-32.555
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1(chain A and resid 160:180)
2X-RAY DIFFRACTION2(chain A and resid 181:278)
3X-RAY DIFFRACTION3(chain A and resid 279:283)
4X-RAY DIFFRACTION4(chain A and resid 284:356)
5X-RAY DIFFRACTION5(chain A and resid 357:397)
6X-RAY DIFFRACTION6(chain A and resid 398:420)
7X-RAY DIFFRACTION7(chain A and resid 421:437)
8X-RAY DIFFRACTION8(chain B and resid 1:8)
9X-RAY DIFFRACTION9(chain B and resid 9:21)
10X-RAY DIFFRACTION10(chain B and resid 22:35)
11X-RAY DIFFRACTION11(chain B and resid 36:66)
12X-RAY DIFFRACTION12(chain B and resid 67:91)
13X-RAY DIFFRACTION13(chain B and resid 92:101)
14X-RAY DIFFRACTION14(chain B and resid 102:107)
15X-RAY DIFFRACTION15(chain C and resid 128:196)
16X-RAY DIFFRACTION16(chain C and resid 197:227)
17X-RAY DIFFRACTION17(chain C and resid 228:256)
18X-RAY DIFFRACTION18(chain C and resid 257:291)
19X-RAY DIFFRACTION19(chain C and resid 292:315)
20X-RAY DIFFRACTION20(chain C and resid 316:334)
21X-RAY DIFFRACTION21(chain C and resid 335:394)
22X-RAY DIFFRACTION22(chain D and resid 1:7)
23X-RAY DIFFRACTION23(chain D and resid 8:24)
24X-RAY DIFFRACTION24(chain D and resid 25:44)
25X-RAY DIFFRACTION25(chain D and resid 45:61)
26X-RAY DIFFRACTION26(chain D and resid 62:77)
27X-RAY DIFFRACTION27(chain D and resid 78:109)
28X-RAY DIFFRACTION28(chain D and resid 110:119)
29X-RAY DIFFRACTION29(chain E and resid 160:181)
30X-RAY DIFFRACTION30(chain E and resid 182:294)
31X-RAY DIFFRACTION31(chain E and resid 295:349)
32X-RAY DIFFRACTION32(chain E and resid 350:394)
33X-RAY DIFFRACTION33(chain E and resid 395:399)
34X-RAY DIFFRACTION34(chain E and resid 400:419)
35X-RAY DIFFRACTION35(chain E and resid 420:437)
36X-RAY DIFFRACTION36(chain F and resid 7:12)
37X-RAY DIFFRACTION37(chain F and resid 13:33)
38X-RAY DIFFRACTION38(chain F and resid 34:45)
39X-RAY DIFFRACTION39(chain F and resid 66:73)
40X-RAY DIFFRACTION40(chain F and resid 74:92)
41X-RAY DIFFRACTION41(chain F and resid 93:99)
42X-RAY DIFFRACTION42(chain F and resid 100:107)
43X-RAY DIFFRACTION43(chain G and resid 127:175)
44X-RAY DIFFRACTION44(chain G and resid 176:230)
45X-RAY DIFFRACTION45(chain G and resid 231:258)
46X-RAY DIFFRACTION46(chain G and resid 259:291)
47X-RAY DIFFRACTION47(chain G and resid 292:315)
48X-RAY DIFFRACTION48(chain G and resid 316:340)
49X-RAY DIFFRACTION49(chain G and resid 341:399)
50X-RAY DIFFRACTION50(chain H and resid 1:13)
51X-RAY DIFFRACTION51(chain H and resid 14:29)
52X-RAY DIFFRACTION52(chain H and resid 30:37)
53X-RAY DIFFRACTION53(chain H and resid 38:50)
54X-RAY DIFFRACTION54(chain H and resid 51:68)
55X-RAY DIFFRACTION55(chain H and resid 69:101)
56X-RAY DIFFRACTION56(chain H and resid 102:118)
57X-RAY DIFFRACTION57(chain I and resid 161:170)
58X-RAY DIFFRACTION58(chain I and resid 171:294)
59X-RAY DIFFRACTION59(chain I and resid 295:361)
60X-RAY DIFFRACTION60(chain I and resid 362:393)
61X-RAY DIFFRACTION61(chain I and resid 394:400)
62X-RAY DIFFRACTION62(chain I and resid 401:420)
63X-RAY DIFFRACTION63(chain I and resid 421:437)
64X-RAY DIFFRACTION64(chain J and resid 1:14)
65X-RAY DIFFRACTION65(chain J and resid 15:21)
66X-RAY DIFFRACTION66(chain J and resid 22:34)
67X-RAY DIFFRACTION67(chain J and resid 35:66)
68X-RAY DIFFRACTION68(chain J and resid 67:92)
69X-RAY DIFFRACTION69(chain J and resid 93:102)
70X-RAY DIFFRACTION70(chain J and resid 103:104)
71X-RAY DIFFRACTION71(chain K and resid 128:181)
72X-RAY DIFFRACTION72(chain K and resid 182:228)
73X-RAY DIFFRACTION73(chain K and resid 229:259)
74X-RAY DIFFRACTION74(chain K and resid 260:296)
75X-RAY DIFFRACTION75(chain K and resid 297:315)
76X-RAY DIFFRACTION76(chain K and resid 316:340)
77X-RAY DIFFRACTION77(chain K and resid 341:396)
78X-RAY DIFFRACTION78(chain L and resid 1:7)
79X-RAY DIFFRACTION79(chain L and resid 8:16)
80X-RAY DIFFRACTION80(chain L and resid 17:33)
81X-RAY DIFFRACTION81(chain L and resid 34:44)
82X-RAY DIFFRACTION82(chain L and resid 45:57)
83X-RAY DIFFRACTION83(chain L and resid 58:100)
84X-RAY DIFFRACTION84(chain L and resid 101:119)

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