5Z1R

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 PILATUS 6M
Wavelength(s)	0.97852
Spacegroup name	P 21 21 21
Unit cell lengths	35.570, 47.200, 78.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.450 - 1.620
R-factor	0.176
Rwork	0.175
R-free	0.19310
RMSD bond length	0.014
RMSD bond angle	1.774
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.8)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.500	1.640
High resolution limit [Å]	1.620	1.620
Rmerge	0.086	0.251
Rmeas	0.090	0.263
Rpim	0.026	0.074
Number of reflections	16098	845
<I/σ(I)>	18.3
Completeness [%]	91.6	99.9
Redundancy	11.8	12.2
CC(1/2)	0.997	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20% PEG 3350, 0.1M HEPES, 10% EtGhly, PH8.2