7UG5

Second bromodomain of BRD3 liganded with BMS-536924

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	93
Detector technology	PIXEL
Collection date	2020-08-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03319
Spacegroup name	C 1 2 1
Unit cell lengths	104.590, 92.280, 64.910
Unit cell angles	90.00, 99.42, 90.00

Refinement procedure

Resolution	19.800 - 1.800
R-factor	0.1886
Rwork	0.188
R-free	0.22370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7l9l
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.800	1.850
High resolution limit [Å]	1.800	1.800
Rmeas	0.121	0.887
Number of reflections	56001	4129
<I/σ(I)>	7.8	1.6
Completeness [%]	99.4	99.5
Redundancy	3.4
CC(1/2)	0.994	0.677

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	292	0.05M Magnesium chloride hexahydrate, 0.1M HEPES pH7.5, 30% v/v Polyethylene glycol monomethyl ether 550