5Y94

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	38.850, 48.310, 77.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.020 - 2.000
R-factor	0.1798
Rwork	0.177
R-free	0.22330
RMSD bond length	0.019
RMSD bond angle	1.839
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]	77.640	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.102	0.435
Rmeas	0.111	0.473
Rpim	0.043	0.182
Total number of observations	64977
Number of reflections	10326	731
<I/σ(I)>	11
Completeness [%]	99.6	99.7
Redundancy	6.3	6.5
CC(1/2)	0.996	0.946

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	20% PEG3350, 0.2M NaNO3, 0.1M HEPES, 10% EtGhly,pH8.0