6V1E

Crystal structure of the bromodomain of human BRD7 bound to BI7273

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	2016-12-08
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	71.730, 108.490, 36.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.245 - 2.300
R-factor	0.21
Rwork	0.208
R-free	0.24940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ppa
RMSD bond length	0.003
RMSD bond angle	0.552
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]	54.245	54.245	2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.067	0.026	0.332
Rmeas	0.073	0.029	0.364
Total number of observations	39195
Number of reflections	6585	95	480
<I/σ(I)>	20.58	46.96	5.74
Completeness [%]	99.9	96.9	100
Redundancy	5.952	4.611	6.056
CC(1/2)	0.999	0.998	0.948

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