6V1H

Crystal structure of the bromodomain of human BRD7 bound to bromosporine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	71.430, 109.020, 36.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.916 - 1.930
R-factor	0.2027
Rwork	0.201
R-free	0.23460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ppa
RMSD bond length	0.010
RMSD bond angle	1.003
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.11.1-2575_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.916	19.916	1.980
High resolution limit [Å]	1.930	8.630	1.930
Rmerge	0.038	0.033	0.318
Rmeas	0.042	0.039	0.352
Total number of observations	61192
Number of reflections	11158	132	788
<I/σ(I)>	24.69	47.06	4.88
Completeness [%]	99.4	83.5	99.7
Redundancy	5.484	4.295	5.522
CC(1/2)	0.999	0.997	0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M (NH4)2SO4, 0.05 M Bis-tris (pH 6.5), and 30 % Pentaerythritol ethoxylate