6V0Q

Crystal structure of the bromodomain of human BRD7 bound to TG003

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	PIXEL
Collection date	2018-04-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	59.970, 36.780, 118.960
Unit cell angles	90.00, 101.77, 90.00

Refinement procedure

Resolution	37.680 - 1.690
R-factor	0.1822
Rwork	0.181
R-free	0.21790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ppa
RMSD bond length	0.007
RMSD bond angle	0.849
Data reduction software	XDS
Data scaling software	XSCALE (20180409)
Phasing software	PHASER
Refinement software	PHENIX (1.12)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.680	37.680	1.730
High resolution limit [Å]	1.690	7.560	1.690
Rmerge	0.058	0.043	0.297
Rmeas	0.063	0.047	0.321
Number of reflections	56788	675	4192
<I/σ(I)>	19.77	32.65	6.79
Completeness [%]	98.5	94.1	99.3
Redundancy	6.728	5.947	6.948
CC(1/2)	0.998	0.997	0.969

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