5O3I

Human Brd2(BD2) mutant in complex with AL-tBu

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	2015-09-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9282
Spacegroup name	P 21 21 2
Unit cell lengths	53.120, 72.829, 32.359
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.306 - 1.200
R-factor	0.1576
Rwork	0.157
R-free	0.17840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qeu
RMSD bond length	0.019
RMSD bond angle	1.749
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]	14.310	1.243
High resolution limit [Å]	1.200	1.200
Rmerge	0.105	0.524
Number of reflections	39710	3911
<I/σ(I)>	9.1
Completeness [%]	99.2	99.29
Redundancy	5.8	5.8
CC(1/2)	0.994	0.781

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)