6KEG

BRD4 Bromodomain1 with an inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	33.973, 47.385, 78.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.075 - 2.232
R-factor	0.2451
Rwork	0.240
R-free	0.32960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.990
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.520	2.350
High resolution limit [Å]	2.230	2.230
Rmerge	0.079	0.609
Rmeas	0.087	0.676
Rpim	0.035	0.287
Number of reflections	6553	929
<I/σ(I)>	12.8	2.7
Completeness [%]	99.9	99.8
Redundancy	3.2	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	4M sodium formate, 15% glycerol