5Z90

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	2017-12-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9780
Spacegroup name	P 21 21 21
Unit cell lengths	33.079, 47.695, 78.808
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.400 - 1.800
R-factor	0.2113
Rwork	0.208
R-free	0.26430
RMSD bond length	0.006
RMSD bond angle	0.963
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]	39.400	1.864
High resolution limit [Å]	1.800	1.800
Number of reflections	12099
<I/σ(I)>	10.49
Completeness [%]	100.0
Redundancy	6.3

Crystallization Conditions

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