4YY4

Crystal structure of BRD9 Bromodomain bound to DMSO

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-02
Detector	RAYONIX MX300-HS
Wavelength(s)	1.000
Spacegroup name	C 2 2 21
Unit cell lengths	35.145, 68.546, 105.176
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.590 - 1.470
R-factor	0.2178
Rwork	0.217
R-free	0.23430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hme
RMSD bond length	0.032
RMSD bond angle	2.764
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.520
High resolution limit [Å]	1.470	3.170	1.470
Rmerge	0.053	0.039	0.452
Total number of observations	123026
Number of reflections	21295
<I/σ(I)>	10.6
Completeness [%]	96.5	99	80.8
Redundancy	5.8	5.6	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.1 M HEPES, pH 7.5, 25% w/v PEG3350