7NQJ

C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-ethyl-2-(1-methyl-1H-1,2,3-triazol-4-yl)-6-(1-phenylethyl)isonicotinamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-24
Detector	RIGAKU SATURN A200
Wavelength(s)	1.54178
Spacegroup name	P 21 21 2
Unit cell lengths	71.725, 52.153, 32.013
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.510 - 1.734
R-factor	0.1728
Rwork	0.172
R-free	0.19560
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.012
RMSD bond angle	1.130
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]	52.150	1.830
High resolution limit [Å]	1.730	1.730
Rmerge	0.050	0.453
Number of reflections	12570	1746
<I/σ(I)>	19.5	3
Completeness [%]	97.2	95.2
Redundancy	3.9	3.8
CC(1/2)	0.997	0.752

Crystallization Conditions

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