8PIQ

Crystal Structure of BRD4-BD1 with BI894999

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	2013-12-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	40.676, 43.314, 81.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.710 - 1.117
R-factor	0.1682
Rwork	0.167
R-free	0.18670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.280
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.710	1.120
High resolution limit [Å]	1.117	1.117
Rmerge	0.048	0.500
Number of reflections	51123	1022
<I/σ(I)>	15.6	2.3
Completeness [%]	89.9	45.2
Redundancy	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	100mM Imidazole pH 6.9 13.5% w/v PEG8000