7DHS

Crystal Structure Analysis of the BRD4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	80
Detector technology	CCD
Collection date	2015-05-23
Detector	Nonius Kappa CCD
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	36.690, 78.650, 47.540
Unit cell angles	90.00, 93.49, 90.00

Refinement procedure

Resolution	36.620 - 1.760
R-factor	0.2321
Rwork	0.231
R-free	0.25310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yqx
RMSD bond length	0.010
RMSD bond angle	1.589
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.32)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.450	36.620	1.800
High resolution limit [Å]	1.760	8.990	1.760
Rmerge	0.076	0.042	0.644
Rmeas	0.098	0.055	0.846
Rpim	0.062	0.034	0.542
Number of reflections	21704	161	1227
<I/σ(I)>	5.9
Completeness [%]	82.3	77	84.8
Redundancy	1.8	2.4	1.7
CC(1/2)	0.993	0.993	0.634

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	0.1M HEPES, 0.2M NaNO3, 10% ethylene glycol, 20% PEG 3350, pH 6.5