5Z5V

The first bromodomain of BRD4 with compound BDF-1253

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	2016-10-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9785
Spacegroup name	P 21 21 21
Unit cell lengths	32.037, 47.293, 79.081
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.589 - 1.660
R-factor	0.1813
Rwork	0.179
R-free	0.21890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5h21
RMSD bond length	0.006
RMSD bond angle	0.798
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]	40.590	1.719
High resolution limit [Å]	1.660	1.660
Number of reflections	14409
<I/σ(I)>	23.88
Completeness [%]	100.0
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	10-15% glycerol, 4M sodium formate