7NQ5

C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 3-(2-(benzyloxy)phenyl)-5-methyl-1H-1,2,4-triazole

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-03
Detector	RIGAKU SATURN A200
Wavelength(s)	1.54178
Spacegroup name	P 21 21 2
Unit cell lengths	71.311, 52.646, 31.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.350 - 1.600
Rwork	0.152
R-free	0.18750
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.005
RMSD bond angle	1.228
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.350	1.710
High resolution limit [Å]	1.600	1.600
Rmerge	0.020	0.247
Number of reflections	15561	2281
<I/σ(I)>	24.1	2
Completeness [%]	94.9	79.4
Redundancy	2.9	1.9
CC(1/2)	0.998	0.412

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	30% PEG 300, 0.1M MES buffer pH6.5