6KEF

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	34.052, 47.382, 78.294
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.537 - 2.445
R-factor	0.226062989284
Rwork	0.219
R-free	0.34508
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.280
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.540
High resolution limit [Å]	2.444	2.450
Rmeas	0.234
Rpim	0.092
Number of reflections	5043	476
<I/σ(I)>	11.5
Completeness [%]	99.0
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	4M Sodium Formate, 15% glycerol