5F25

Crystal structure of the BRD9 bromodomain in complex with compound 4.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-06-16
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000
Spacegroup name	P 21 21 2
Unit cell lengths	71.038, 125.017, 29.941
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.030 - 1.680
R-factor	0.1901
Rwork	0.189
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hme
RMSD bond length	0.008
RMSD bond angle	0.810
Data scaling software	Aimless (0.1.29)
Refinement software	BUSTER-TNT (BUSTER 2.11.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.030	27.030	1.810
High resolution limit [Å]	1.680	4.440	1.680
Rmerge	0.030	0.014	0.521
Rpim	0.013	0.007	0.224
Total number of observations	197150	10441	39807
Number of reflections	31467
<I/σ(I)>	30.9	94.1	3.6
Completeness [%]	99.9	99.5	100
Redundancy	6.3	5.6	6.3
CC(1/2)	1.000	1.000	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.3	277	glycerol ethoxylate, Tris