6S55

Crystal structure of human ATAD2 bromodomain in complex with N-(4-bromo-3-((3-methylpiperidin-1-yl)sulfonyl)phenyl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2013-08-30
Detector	RIGAKU
Wavelength(s)	1.547
Spacegroup name	P 65 2 2
Unit cell lengths	79.664, 79.664, 137.341
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.670 - 2.090
R-factor	0.18644
Rwork	0.184
R-free	0.24328
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	1.421
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	137.340	2.200
High resolution limit [Å]	2.090	2.090
Number of reflections	15970	2247
<I/σ(I)>	19.3
Completeness [%]	99.8
Redundancy	10.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		278	0.1M trisHCl pH 7.0-8.0, 1.2-1.5M ammonium sulphate and 20-25% PEG3350