5Z8Z

BRD4 Bromodomain 1 with an inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2017-11-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	33.486, 47.785, 78.903
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.870 - 1.800
R-factor	0.1959
Rwork	0.194
R-free	0.23850
RMSD bond length	0.007
RMSD bond angle	0.911
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.874	1.865
High resolution limit [Å]	1.800	1.800
Number of reflections	12236
<I/σ(I)>	13.67
Completeness [%]	99.0
Redundancy	6.4

Crystallization Conditions

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