5OWM

Crystal structure of human BRD4(1) bromodomain in complex with UT48

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000020
Spacegroup name	P 21 21 21
Unit cell lengths	32.452, 47.094, 78.731
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.415 - 1.500
R-factor	0.1714
Rwork	0.169
R-free	0.19720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oss
RMSD bond length	0.005
RMSD bond angle	0.805
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.090	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.072	0.636
Number of reflections	19968	965
<I/σ(I)>	18.4
Completeness [%]	99.7	99.3
Redundancy	12.6	11.5
CC(1/2)	0.999	0.967

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	HEPES, Sodium chloride