6V1F

Crystal structure of the bromodomain of human BRD7 bound to BI9564

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	2016-10-20
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	71.490, 108.710, 36.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.322 - 2.000
R-factor	0.2187
Rwork	0.217
R-free	0.24890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ppa
RMSD bond length	0.003
RMSD bond angle	0.578
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]	32.322	32.322	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.042	0.028	0.308
Rmeas	0.046	0.032	0.332
Total number of observations	71354
Number of reflections	10022	136	740
<I/σ(I)>	28.83	54.9	6.46
Completeness [%]	99.8	97.1	100
Redundancy	7.12	5.272	7.272
CC(1/2)	0.999	0.999	0.983

Crystallization Conditions

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