5Y93

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	2015-09-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	35.040, 47.120, 78.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.340 - 1.620
R-factor	0.1852
Rwork	0.184
R-free	0.21020
RMSD bond length	0.011
RMSD bond angle	1.557
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.14)
Phasing software	MERLOT
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.030	1.640
High resolution limit [Å]	1.620	1.620
Rmerge	0.078	0.307
Rmeas	0.086	0.333
Rpim	0.034	0.128
Number of reflections	17128	823
<I/σ(I)>	13.6
Completeness [%]	99.8	99.9
Redundancy	6.3	6.6
CC(1/2)	0.996	0.968

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	277	20% PEG3350, 0.2M NaNO3, 0.1M HEPES, 10% EtGhly,pH8.3