7NQ8

C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-ethyl-3-(1-methyl-1H-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-23
Detector	RIGAKU SATURN A200
Wavelength(s)	1.54178
Spacegroup name	P 21 21 2
Unit cell lengths	71.706, 52.549, 32.032
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.620 - 1.602
R-factor	0.175
Rwork	0.173
R-free	0.20490
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.009
RMSD bond angle	0.890
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	BUSTER (2.11.7 (6-FEB-2020))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.850	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.015	0.030
Number of reflections	15636	1891
<I/σ(I)>	50.5	22.1
Completeness [%]	95.2	80.8
Redundancy	2.8	1.7
CC(1/2)	0.998	0.970

Crystallization Conditions

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