5YQX

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	2017-04-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97776
Spacegroup name	P 21 21 21
Unit cell lengths	43.410, 47.280, 60.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.280 - 1.820
R-factor	0.1639
Rwork	0.161
R-free	0.21880
RMSD bond length	0.017
RMSD bond angle	1.878
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.17)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.610	1.860
High resolution limit [Å]	1.820	1.820
Rmerge	0.058	0.230
Rmeas	0.061	0.240
Rpim	0.018	0.068
Number of reflections	11689	654
<I/σ(I)>	25.2
Completeness [%]	99.8	100
Redundancy	11.4	12.1
CC(1/2)	0.999	0.986

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.1M HEPES pH 7.5, 20% PEG 3350, 10% EtGhly, 0.2M NaCl