5Y8W

Crystal Structure Analysis of the BRD4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2015-05-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	38.970, 48.200, 77.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.960 - 1.760
R-factor	0.1914
Rwork	0.189
R-free	0.23580
RMSD bond length	0.018
RMSD bond angle	1.776
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.14)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.680	1.800
High resolution limit [Å]	1.760	1.760
Rmerge	0.081	0.480
Rmeas	0.089	0.531
Rpim	0.037	0.221
Number of reflections	14984	833
<I/σ(I)>	11
Completeness [%]	99.8	99.9
Redundancy	5.6	5.5
CC(1/2)	0.998	0.952

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.2	277	20% PEG3350, 0.2M NaNO3, 0.1M HEPES, 10% EtGhly,pH8.2