5Y8C

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	2015-04-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97852
Spacegroup name	P 21 21 21
Unit cell lengths	35.200, 47.200, 78.069
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.390 - 1.420
R-factor	0.1892
Rwork	0.188
R-free	0.21370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mxf
RMSD bond length	0.011
RMSD bond angle	1.537
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.17)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	78.070	78.070	1.450
High resolution limit [Å]	1.420	7.780	1.420
Rmerge	0.084	0.094	0.450
Rmeas	0.087	0.099	0.470
Rpim	0.025	0.028	0.135
Number of reflections	25180	201	1233
<I/σ(I)>	16.7
Completeness [%]	99.8	99.8	99.9
Redundancy	11.5	10.3	11.8
CC(1/2)	0.998	0.994	0.983

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,pH 8.2