5Y8Y

Crystal Structure Analysis of the BRD4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2015-06-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	34.620, 47.230, 78.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.250 - 1.870
R-factor	0.1927
Rwork	0.190
R-free	0.24700
RMSD bond length	0.016
RMSD bond angle	1.797
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.17)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.250	1.910
High resolution limit [Å]	1.870	1.870
Rmerge	0.162	0.659
Rmeas	0.173	0.705
Rpim	0.061	0.245
Total number of observations	79296
Number of reflections	11017	698
<I/σ(I)>	7.1
Completeness [%]	98.9	99.6
Redundancy	7.2	7.7
CC(1/2)	0.991	0.902

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	20% PEG3350, 0.2M NaNO3, 0.1M HEPES, 10% EtGhly,pH7