7DPO

Crystal Structure of BRD2(BD2)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	2019-04-13
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	83.736, 35.541, 47.204
Unit cell angles	90.00, 117.63, 90.00

Refinement procedure

Resolution	41.822 - 2.300
R-factor	0.202513494492
Rwork	0.200
R-free	0.24190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dvv
RMSD bond length	0.009
RMSD bond angle	1.118
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]	42.000	2.380
High resolution limit [Å]	2.290	2.300
Rmeas	0.166	0.474
Rpim	0.067	0.221
Number of reflections	5522	538
<I/σ(I)>	98.3
Completeness [%]	98.1
Redundancy	5.7
CC(1/2)	0.961	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.2M ammonium sulfate, 25% PEG 4000