5Z1S

Crystal Structure Analysis of the BRD4(1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2015-12-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97776
Spacegroup name	P 21 21 21
Unit cell lengths	35.080, 47.090, 78.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.340 - 1.420
R-factor	0.1816
Rwork	0.180
R-free	0.21980
RMSD bond length	0.018
RMSD bond angle	1.954
Data reduction software	iMOSFLM
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.170	1.440
High resolution limit [Å]	1.420	1.420
Rmerge	0.089	0.805
Rmeas	0.093	0.841
Rpim	0.027	0.238
Number of reflections	25111	1208
<I/σ(I)>	13.4
Completeness [%]	99.8	99.4
Redundancy	11.3	12
CC(1/2)	0.999	0.927

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20% PEG 3350, 0.1M HEPES, 10% EtGhly, PH7.0