6KED

BRD4 Bromodomain1 with an inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	35.176, 47.023, 77.975
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.268 - 2.548
R-factor	0.246941962126
Rwork	0.240
R-free	0.37879
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.380
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.548	2.550
Rmeas	0.242
Rpim	0.096
Number of reflections	4435	436
<I/σ(I)>	11
Completeness [%]	97.0
Redundancy	3.4

Crystallization Conditions

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