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4QSQ

Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) with bound DMSO

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU FR-E SUPERBRIGHT
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2011-12-06
DetectorRIGAKU RAXIS IV
Wavelength(s)1.5418
Spacegroup nameP 65 2 2
Unit cell lengths79.248, 79.248, 138.189
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution19.120 - 1.800
R-factor0.15974
Rwork0.158
R-free0.19366
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)pdb id: 3DAI
RMSD bond length0.016
RMSD bond angle1.606
Data reduction softwareXDS
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwareREFMAC (5.6.0117)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]19.9101.900
High resolution limit [Å]1.8001.800
Rmerge0.1190.842
Number of reflections24039
<I/σ(I)>9.42
Completeness [%]98.598.1
Redundancy5.65.6
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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