5O3C

Human Brd2(BD2) mutant in complex with 9-Me

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-24
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 2 21 21
Unit cell lengths	31.852, 52.082, 71.789
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.852 - 1.600
R-factor	0.1636
Rwork	0.162
R-free	0.19440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qeu
RMSD bond length	0.007
RMSD bond angle	1.081
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]	31.850	1.657
High resolution limit [Å]	1.600	1.600
Rmerge	0.111	0.563
Number of reflections	16285	1575
<I/σ(I)>	7.67	2.04
Completeness [%]	99.5	99.56
Redundancy	4.3	4.2
CC(1/2)	0.992	0.755

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.2M Tris pH 8.5 60% Pentaerythritol propoxylate (5/4 PO/OH)