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- PDB-5uek: Structure of antigen-Fab 12E complex with Histone chaperone ASF1 -

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Basic information

Entry
Database: PDB / ID: 5uek
TitleStructure of antigen-Fab 12E complex with Histone chaperone ASF1
Components
  • Fab 12E Heavy Chain
  • Fab 12E Light Chain
  • Histone chaperone ASF1
KeywordsIMMUNE SYSTEM / Antibody / Fab / Asf1 / histone chaperone
Function / homology
Function and homology information


Formation of Senescence-Associated Heterochromatin Foci (SAHF) / : / H3 histone acetyltransferase complex / acetyltransferase activator activity / DNA replication-dependent chromatin assembly / nucleosome disassembly / : / silent mating-type cassette heterochromatin formation / subtelomeric heterochromatin formation / negative regulation of DNA damage checkpoint ...Formation of Senescence-Associated Heterochromatin Foci (SAHF) / : / H3 histone acetyltransferase complex / acetyltransferase activator activity / DNA replication-dependent chromatin assembly / nucleosome disassembly / : / silent mating-type cassette heterochromatin formation / subtelomeric heterochromatin formation / negative regulation of DNA damage checkpoint / regulation of DNA repair / positive regulation of transcription elongation by RNA polymerase II / regulation of protein phosphorylation / nucleosome assembly / chromatin organization / histone binding / regulation of gene expression / chromosome, telomeric region / regulation of transcription by RNA polymerase II / nucleus / cytosol
Similarity search - Function
Histone deposition protein Asf1 / Histone chaperone ASF1-like / Histone chaperone ASF1-like / Histone chaperone ASF1-like superfamily / ASF1 like histone chaperone / Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta
Similarity search - Domain/homology
Histone chaperone ASF1
Similarity search - Component
Biological speciesSaccharomyces cerevisiae (brewer's yeast)
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / Resolution: 1.7 Å
AuthorsBailey, L.J. / Kossiakoff, A.A.
Citation
Journal: To Be Published
Title: Antibody Switch Residue Engineering for Improved Crystallization Chaperones
Authors: Bailey, L.J. / Kossiakoff, A.A.
#1: Journal: To Be Published
Title: To be published
Authors: Bailey, L.J. / Kossiakoff, A.A.
History
DepositionJan 2, 2017Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jan 10, 2018Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Histone chaperone ASF1
H: Fab 12E Heavy Chain
L: Fab 12E Light Chain


Theoretical massNumber of molelcules
Total (without water)64,9563
Polymers64,9563
Non-polymers00
Water10,647591
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area5950 Å2
ΔGint-34 kcal/mol
Surface area25590 Å2
MethodPISA
Unit cell
Length a, b, c (Å)43.175, 142.932, 49.401
Angle α, β, γ (deg.)90.00, 98.80, 90.00
Int Tables number4
Space group name H-MP1211

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Components

#1: Protein Histone chaperone ASF1 / Anti-silencing function protein 1 / yASF1


Mass: 17428.648 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast)
Strain: ATCC 204508 / S288c / Gene: ASF1, CIA1, YJL115W, J0755 / Production host: Escherichia coli (E. coli) / References: UniProt: P32447
#2: Antibody Fab 12E Heavy Chain


Mass: 24170.996 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Escherichia coli (E. coli)
#3: Antibody Fab 12E Light Chain


Mass: 23355.900 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Escherichia coli (E. coli)
#4: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 591 / 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: 2.32 Å3/Da / Density % sol: 46.96 %
Crystal growTemperature: 298 K / Method: vapor diffusion, hanging drop
Details: 20% PEG 3350, 20% ethylene glycol, .2 M Ammonium Acetate

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Data collection

DiffractionMean temperature: 80 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 21-ID-D / Wavelength: 1.033 Å
DetectorType: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Feb 2, 2014
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.033 Å / Relative weight: 1
ReflectionResolution: 1.7→22.46 Å / Num. obs: 64692 / % possible obs: 81.4 % / Redundancy: 1.4 % / Net I/σ(I): 22.1

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Processing

Software
NameVersionClassification
PHENIX(1.11.1_2575: ???)refinement
HKL-2000data reduction
SCALEPACKdata scaling
MOLREPphasing
RefinementResolution: 1.7→22.458 Å / SU ML: 0.21 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 22.83 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2125 2689 5.1 %
Rwork0.1763 --
obs0.1782 52746 81.47 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 1.7→22.458 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms4431 0 0 591 5022
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0064549
X-RAY DIFFRACTIONf_angle_d0.8326205
X-RAY DIFFRACTIONf_dihedral_angle_d3.0162993
X-RAY DIFFRACTIONf_chiral_restr0.055704
X-RAY DIFFRACTIONf_plane_restr0.005794
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.7002-1.73110.27681350.23392736X-RAY DIFFRACTION84
1.7311-1.76430.27711420.23372734X-RAY DIFFRACTION85
1.7643-1.80030.27141370.22112746X-RAY DIFFRACTION84
1.8003-1.83950.29341330.21582645X-RAY DIFFRACTION82
1.8395-1.88220.26011380.20592625X-RAY DIFFRACTION81
1.8822-1.92930.23381360.20592495X-RAY DIFFRACTION78
1.9293-1.98140.23211340.2012449X-RAY DIFFRACTION76
1.9814-2.03970.25161260.2022463X-RAY DIFFRACTION76
2.0397-2.10550.23731560.20042442X-RAY DIFFRACTION77
2.1055-2.18070.24991510.19292429X-RAY DIFFRACTION76
2.1807-2.26790.24711330.19432592X-RAY DIFFRACTION80
2.2679-2.3710.25341420.1892590X-RAY DIFFRACTION80
2.371-2.49590.24031480.19232622X-RAY DIFFRACTION82
2.4959-2.6520.22811320.1912695X-RAY DIFFRACTION83
2.652-2.85640.22511570.18752712X-RAY DIFFRACTION84
2.8564-3.14320.20631400.17732567X-RAY DIFFRACTION80
3.1432-3.59640.18211430.16112656X-RAY DIFFRACTION82
3.5964-4.5250.18181530.13962832X-RAY DIFFRACTION88
4.525-22.45960.16631530.15423027X-RAY DIFFRACTION92
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)
15.81567.03835.01988.48526.13644.4287-0.3370.55320.1699-0.32990.2070.1249-0.11840.14870.21330.2518-0.00350.03550.297-0.00260.2985-3.8625-40.61086.0906
25.54042.95614.09513.01732.44573.74140.03190.0488-0.49570.05080.1812-0.3907-0.00710.0944-0.23790.16460.01550.01920.18330.01710.2539-9.7657-46.25158.6904
33.1931-1.97174.3333.0625-2.47045.929-0.469-0.65390.490.17960.43640.4533-0.4201-0.79240.13350.23340.02240.00010.250.02810.301-23.1943-37.9698.6757
43.0167-0.58944.68221.5445-0.34077.80240.15670.03760.06370.0867-0.1186-0.0282-0.4646-0.0590.00240.2609-0.02190.00490.19790.05460.2141-19.3978-43.099414.0243
52.24120.87730.71421.55450.11631.0516-0.1036-0.0666-0.2504-0.06370.15210.037-0.0053-0.0665-0.0720.15810.00540.0120.16910.02240.1932-17.4744-42.59727.2481
67.15810.69451.54192.15911.56964.0210.29970.6081-1.0016-0.4202-0.14120.29090.1094-0.3116-0.09230.3506-0.0225-0.07070.2643-0.06780.4018-32.2136-52.6371-6.8629
74.34132.35663.81493.07942.42033.512-0.12610.0096-0.0452-0.11080.1123-0.116-0.2090.1145-0.01010.16910.0120.03630.15850.00160.1325-8.5691-33.18026.4787
81.50810.18860.02471.2753-1.38294.45610.0671-0.1361-0.0438-0.0645-0.1355-0.06330.03990.41720.05650.14140.03110.0240.2101-0.01190.1907-1.0679-24.1807-12.0727
91.84310.5362-0.41052.56640.60761.05830.050.09-0.0114-0.22420.05210.0979-0.03-0.0653-0.09970.17850.00990.01130.1673-0.0060.1004-11.4655-27.1717-12.3788
102.7602-0.58781.44892.3637-0.48814.56710.14920.0054-0.059-0.26560.0138-0.09960.34590.0338-0.16630.2164-0.00220.02120.1917-0.02210.1711-4.4533-30.369-16.6423
110.91980.3263-1.23641.3195-1.44782.72440.11220.03650.0018-0.0529-0.04540.061-0.11570.0756-0.06950.19980.02350.00090.1883-0.00410.1487-9.8047-22.2887-11.8837
120.8542-1.1044-0.22943.81240.3831.64270.12580.03890.0979-0.3537-0.21030.0561-0.1894-0.04120.08420.1364-0.0103-0.01620.1966-0.0260.1834-11.11083.7846-27.4186
130.9572-0.0035-0.1212.0960.60411.43830.0112-0.0582-0.0043-0.0406-0.00860.0280.0130.0789-0.01350.1570.02260.0050.1562-0.010.1588-11.13795.762-23.3056
143.4215-1.2266-1.11222.66072.90053.01080.05010.13830.1469-0.19730.1252-0.627-0.05810.2181-0.23940.2125-0.01090.00230.2175-0.01430.2497-3.138310.7591-26.2079
152.0786-0.3817-0.22075.97782.64283.18120.25520.1938-0.3999-0.6358-0.53260.6081-0.2538-0.56610.18860.26980.0298-0.06770.2914-0.01820.2876-28.9598-13.5922-7.8584
161.95950.90.30521.0211-0.70411.735-0.01320.1132-0.2177-0.07310.05340.10690.1988-0.1849-0.02810.19040.01390.02470.2336-0.02140.2636-29.8556-17.0465-0.9843
172.0467-0.7228-0.24423.0905-1.12432.97890.12920.00670.0143-0.0306-0.1164-0.1861-0.28690.0626-0.01740.16850.02250.0340.14670.00220.1744-16.9719-16.9912-2.4529
180.8643-0.057-0.02542.17850.81091.57840.0128-0.1109-0.05460.1271-0.06450.07790.0268-0.1260.05520.142-0.00490.00850.1609-0.00010.1583-23.79-19.82954.6436
190.9787-1.0054-0.66793.53581.66282.12460.12950.01810.0139-0.2332-0.1384-0.1988-0.1812-0.1427-0.01140.17160.01970.01740.18940.00780.1848-21.3294-12.1816-1.0067
200.64110.04220.01311.8337-0.47660.5020.08420.0932-0.01950.185-0.15140.27670.0231-0.14370.07680.17190.00810.01420.1533-0.00610.1314-24.277-10.8484-8.3719
213.9312-2.1687-4.2662.62564.21837.05090.23780.12640.1567-0.4318-0.0778-0.1689-0.36780.1187-0.15680.270.0301-0.02120.19370.0350.2793-17.041612.303-33.3727
220.81890.6463-1.22411.24910.16388.9036-0.0897-0.06220.0061-0.19560.02040.31220.3486-0.14610.09240.20410.0271-0.00880.1378-0.00310.2889-26.66777.5963-22.7639
234.3053-0.63773.24321.4435-2.05177.4166-0.1478-0.05970.1481-0.20090.22820.3076-0.0777-0.5703-0.06140.2679-0.0097-0.04980.1893-0.00610.3446-29.21984.7143-31.1851
241.1115-0.0117-0.13312.5501-0.61859.5265-0.02840.04480.1099-0.0801-0.08490.06730.04170.19870.08210.13110.0144-0.00840.1228-0.00090.2177-21.42666.3669-24.7271
252.03160.2217-1.87872.4757-0.9442.36530.24130.0420.4075-0.05570.1630.5072-0.3878-0.2423-0.5120.18850.0408-0.00340.20260.03610.3892-30.419114.968-26.7982
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 2:11 )A2 - 11
2X-RAY DIFFRACTION2( CHAIN A AND RESID 12:37 )A12 - 37
3X-RAY DIFFRACTION3( CHAIN A AND RESID 38:52 )A38 - 52
4X-RAY DIFFRACTION4( CHAIN A AND RESID 53:62 )A53 - 62
5X-RAY DIFFRACTION5( CHAIN A AND RESID 63:117 )A63 - 117
6X-RAY DIFFRACTION6( CHAIN A AND RESID 118:139 )A118 - 139
7X-RAY DIFFRACTION7( CHAIN A AND RESID 140:154 )A140 - 154
8X-RAY DIFFRACTION8( CHAIN H AND RESID 1:33 )H1 - 33
9X-RAY DIFFRACTION9( CHAIN H AND RESID 34:59 )H34 - 59
10X-RAY DIFFRACTION10( CHAIN H AND RESID 60:82 )H60 - 82
11X-RAY DIFFRACTION11( CHAIN H AND RESID 83:106 )H83 - 106
12X-RAY DIFFRACTION12( CHAIN H AND RESID 107:134 )H107 - 134
13X-RAY DIFFRACTION13( CHAIN H AND RESID 135:188 )H135 - 188
14X-RAY DIFFRACTION14( CHAIN H AND RESID 189:214 )H189 - 214
15X-RAY DIFFRACTION15( CHAIN L AND RESID 3:13 )L3 - 13
16X-RAY DIFFRACTION16( CHAIN L AND RESID 14:29 )L14 - 29
17X-RAY DIFFRACTION17( CHAIN L AND RESID 30:48 )L30 - 48
18X-RAY DIFFRACTION18( CHAIN L AND RESID 49:75 )L49 - 75
19X-RAY DIFFRACTION19( CHAIN L AND RESID 76:91 )L76 - 91
20X-RAY DIFFRACTION20( CHAIN L AND RESID 92:113 )L92 - 113
21X-RAY DIFFRACTION21( CHAIN L AND RESID 114:128 )L114 - 128
22X-RAY DIFFRACTION22( CHAIN L AND RESID 129:150 )L129 - 150
23X-RAY DIFFRACTION23( CHAIN L AND RESID 151:163 )L151 - 163
24X-RAY DIFFRACTION24( CHAIN L AND RESID 164:188 )L164 - 188
25X-RAY DIFFRACTION25( CHAIN L AND RESID 189:211 )L189 - 211

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