5Z9K

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	2018-01-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978530
Spacegroup name	P 21 21 21
Unit cell lengths	32.918, 48.245, 80.238
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.120 - 1.890
R-factor	0.2076
Rwork	0.205
R-free	0.25750
RMSD bond length	0.008
RMSD bond angle	0.987
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]	40.120	1.958
High resolution limit [Å]	1.890	1.890
Number of reflections	10618
<I/σ(I)>	13.11
Completeness [%]	99.0
Redundancy	6.1

Crystallization Conditions

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