4CFL

N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH LY303511

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-04-11
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	37.520, 44.480, 77.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	16.090 - 1.320
R-factor	0.19061
Rwork	0.189
R-free	0.21740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.996
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.480	1.370
High resolution limit [Å]	1.320	1.320
Rmerge	0.060	0.120
Number of reflections	29360
<I/σ(I)>	21.1	6.6
Completeness [%]	93.8	61.5
Redundancy	5.3	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.2M AM SULPHATE, 16% PEG4K, 0.1M HEPES PH 7.5, 10% ISOPROPANOL