6HDO

Crystal structure of human ATAD2 bromodomain in complex with 8-(((1R,2R,3R,5S)-2-(2-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)quinolin-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	2013-10-22
Detector	RIGAKU SATURN A200
Wavelength(s)	1.54178
Spacegroup name	P 65 2 2
Unit cell lengths	79.254, 79.254, 135.033
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.640 - 2.610
R-factor	0.18646
Rwork	0.184
R-free	0.23194
RMSD bond length	0.015
RMSD bond angle	1.480
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	135.030	2.750
High resolution limit [Å]	2.610	2.610
Number of reflections	8153
<I/σ(I)>	20.8
Completeness [%]	99.6	100
Redundancy	10.3	10.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	0.1M trisHCl pH 7.0-8.0, 1.2-1.5M ammonium sulphate and 20-25% PEG3350