4YYI

Crystal structure of BRD9 Bromodomain bound to an acetylated peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-02-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 1
Unit cell lengths	24.746, 34.602, 129.361
Unit cell angles	88.79, 90.00, 68.92

Refinement procedure

Resolution	32.280 - 1.500
R-factor	0.2077
Rwork	0.206
R-free	0.24220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hme
RMSD bond length	0.028
RMSD bond angle	2.752
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.8.0069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.050	0.041	0.304
Total number of observations	138541
Number of reflections	60687
<I/σ(I)>	11.1
Completeness [%]	95.1	94.5	94
Redundancy	2.3	2.2	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	0.1 M Bis-Tris, pH 6.5, 25% w/v PEG3350