5Z8R

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)	0.9785
Spacegroup name	P 21 21 21
Unit cell lengths	33.482, 47.718, 78.901
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.831 - 2.000
R-factor	0.2009
Rwork	0.198
R-free	0.25250
RMSD bond length	0.006
RMSD bond angle	0.956
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]	50.000	2.072
High resolution limit [Å]	2.000	2.000
Number of reflections	8985
<I/σ(I)>	9.08
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