5Z1T

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	35.100, 47.060, 78.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.310 - 1.420
R-factor	0.1782
Rwork	0.176
R-free	0.21090
RMSD bond length	0.016
RMSD bond angle	1.841
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]	78.090	1.450
High resolution limit [Å]	1.420	1.420
Rmerge	0.119	0.444
Rmeas	0.124	0.464
Rpim	0.036	0.131
Number of reflections	25189	1265
<I/σ(I)>	12.4
Completeness [%]	100.0	100
Redundancy	11.7	12.1
CC(1/2)	0.995	0.973

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20% PEG 3350, 0.1M HEPES, 10% EtGhly, PH7.5