4UYD

N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1,3-dimethyl-2-oxo-2,3- dihydro-1H-1,3-benzodiazole-5-carboxamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-06-26
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	37.420, 44.200, 78.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.130 - 1.370
R-factor	0.17483
Rwork	0.174
R-free	0.18788
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.144
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.130	1.440
High resolution limit [Å]	1.370	1.370
Rmerge	0.070	0.280
Number of reflections	186100
<I/σ(I)>	15.7	5.3
Completeness [%]	98.7	92.1
Redundancy	6.1	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				20% PEG3350, 0.2M NAAC