5Y8Z

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 PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	39.480, 48.270, 77.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.030 - 1.840
R-factor	0.1687
Rwork	0.168
R-free	0.18450
RMSD bond length	0.012
RMSD bond angle	1.510
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]	48.270	1.880
High resolution limit [Å]	1.840	1.840
Rmerge	0.125	0.273
Rmeas	0.131	0.285
Rpim	0.037	0.081
Number of reflections	13419	835
<I/σ(I)>	16
Completeness [%]	99.4	99.2
Redundancy	11.7	12
CC(1/2)	0.993	0.989

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	277	20% PEG3350, 0.2M NaNO3, 0.1M HEPES, 10% EtGhly,pH7.2