4ZC9

Crystal Structure of the BRD4a/DB-2-190 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-12-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	38.010, 43.050, 79.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.308 - 0.990
R-factor	0.1414
Rwork	0.141
R-free	0.14640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.227
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.310	34.310	1.020
High resolution limit [Å]	0.990	4.430	0.990
Rmerge	0.044	0.042	0.553
Rpim	0.019	0.018	0.343
Total number of observations	440195	6354	12042
Number of reflections	67454
<I/σ(I)>	21.2	48.4	2.3
Completeness [%]	91.9	99.7	62
Redundancy	6.5	6.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	15% PEG3350, 0.1 M Succinate