6HDN

Crystal structure of human ATAD2 bromodomain in complex with 3-methyl-8-((8-methyl-8-azabicyclooctan-3-yl)amino)-1,7-naphthyridin-2(1H)-one

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2014-05-11
Detector	RIGAKU SATURN A200
Wavelength(s)	1.54178
Spacegroup name	P 65 2 2
Unit cell lengths	79.070, 79.070, 138.388
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	68.480 - 1.900
R-factor	0.19561
Rwork	0.194
R-free	0.22956
RMSD bond length	0.005
RMSD bond angle	0.954
Data reduction software	d*TREK
Data scaling software	d*TREK
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.480	1.970
High resolution limit [Å]	1.900	1.900
Number of reflections	20781
<I/σ(I)>	12.3
Completeness [%]	99.6
Redundancy	11.28

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	1.2-1.5M ammonium sulphate and 20-25% PEG3350.