7NQI

C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 2-benzyl-N-cyclopropyl-6-(1-methyl-1H-1,2,3-triazol-4-yl)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	2016-02-05
Detector	RIGAKU SATURN A200
Wavelength(s)	1.54178
Spacegroup name	P 21 21 2
Unit cell lengths	72.016, 52.622, 32.091
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.400 - 1.603
R-factor	0.173
Rwork	0.171
R-free	0.20510
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.012
RMSD bond angle	1.020
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]	72.020	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.023	0.100
Number of reflections	15827	1868
<I/σ(I)>	25.3	7.8
Completeness [%]	95.4	79.2
Redundancy	2.7	1.7
CC(1/2)	0.998	0.817

Crystallization Conditions

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