7DPN

Crystal structure of BRD2(BD1)with ligand ZB-BD-224 bound

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	2019-05-16
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	114.784, 55.778, 68.098
Unit cell angles	90.00, 94.25, 90.00

Refinement procedure

Resolution	45.454 - 1.800
R-factor	0.189761132575
Rwork	0.188
R-free	0.21879
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yek
RMSD bond length	0.007
RMSD bond angle	0.904
Data reduction software	HKL-3000
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.000	1.860
High resolution limit [Å]	1.790	1.800
Rmerge	0.168	0.791
Rmeas	0.168	0.861
Rpim	0.069	0.985
Number of reflections	39802	3928
<I/σ(I)>	99.6
Completeness [%]	99.5
Redundancy	6.7
CC(1/2)	0.941	0.691

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	25-30% PEG MME 5000, 0.2M ammonium sulfate, 0.1M MES pH 6.7