4QY4

Crystal structure of the bromodomain of human SMARCA2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97630
Spacegroup name	P 31
Unit cell lengths	64.346, 64.346, 89.117
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	55.730 - 1.970
R-factor	0.22633
Rwork	0.224
R-free	0.27889
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Ensemble of 2GRC 2oss 3d7c 2ouo 2oo1 3dai 3DWY.
RMSD bond length	0.014
RMSD bond angle	1.600
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	55.730	12.740	2.040
High resolution limit [Å]	1.970	7.360	1.990
Rmerge	0.219	0.134	3.290
Number of reflections	28970
<I/σ(I)>	11.9	25.3	2.8
Completeness [%]	100.0	100	100
Redundancy	6.6	6.9	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	15% PEG 6K, 8% ethylene glycol, 0.01M ZnCl2, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K