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4QSU

Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with thymine

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU FR-E SUPERBRIGHT
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2013-05-10
DetectorRIGAKU RAXIS IV
Wavelength(s)1.5418
Spacegroup nameP 65 2 2
Unit cell lengths79.120, 79.120, 138.060
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution34.330 - 1.900
R-factor0.16897
Rwork0.167
R-free0.20342
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)pdb id: 3DAI
RMSD bond length0.015
RMSD bond angle1.650
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwareREFMAC (5.7.0032)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]34.5102.000
High resolution limit [Å]1.9001.900
Rmerge0.0980.854
Number of reflections20842
<I/σ(I)>12.72.2
Completeness [%]100.0100
Redundancy7.37.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP5.5277.15apo crystals grew in 1.8-2.2 M ammonium sulphate, 0.1 M Bis-Tris, pH 5.5-6.5. Soaking performed in 28-32% PEG 3350, 50 mM bis-tris pH 5.5, 50 mM ammonium phosphate and 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K

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