5O3B

Human Brd2(BD2) mutant in complex with AL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-24
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9174
Spacegroup name	I 2 2 2
Unit cell lengths	88.075, 101.893, 123.534
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.038 - 1.950
R-factor	0.2028
Rwork	0.201
R-free	0.24390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qeu
RMSD bond length	0.009
RMSD bond angle	1.043
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.040	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.283	0.970
Number of reflections	40791	4007
<I/σ(I)>	10.54
Completeness [%]	99.9	99.98
Redundancy	8.6	7.8
CC(1/2)	0.984	0.535

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M Tris pH 7.5 60% Pentaerythritol propoxylate (5/4 PO/OH) 0.2M Imidazole pH 8.0