7OEO

C-TERMINAL BROMODOMAIN OF HUMAN BRD4 N-(2,2-diphenylethyl)-4-methoxy-3,5-dimethyl-N-(2-(methylamino)-2-oxoethyl)benzamide

This is a non-PDB format compatible entry.

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	2012-08-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97950
Spacegroup name	P 21 21 2
Unit cell lengths	65.240, 70.020, 33.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.640 - 1.510
Rwork	0.195
R-free	0.22920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	in house structure
RMSD bond length	0.003
RMSD bond angle	1.157
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.640	1.550
High resolution limit [Å]	1.510	1.510
Rmerge	0.036	0.432
Number of reflections	23991	1319
<I/σ(I)>	23.1	2.5
Completeness [%]	96.3	73.7
Redundancy	5.7	3.4
CC(1/2)	0.999	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1M Hepes pH7.5 and 20%w/v PEG1500