6CZV

BRD4(BD1) complexed with 2759

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.075
Spacegroup name	P 21 21 21
Unit cell lengths	37.925, 43.014, 79.586
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.240 - 1.880
R-factor	0.1652
Rwork	0.162
R-free	0.22620
RMSD bond length	0.019
RMSD bond angle	1.979
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.950
High resolution limit [Å]	1.880	4.050	1.880
Rmerge	0.085	0.051	0.444
Total number of observations	74033
Number of reflections	11124	1216	1084
<I/σ(I)>	14.8
Completeness [%]	99.8	99	100
Redundancy	6.7	5.9	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		297	0.2 M Potassium Fluoride, 8% (w/v) PEG 3,350