32RZ

CRYSTAL STRUCTURE OF BRD4-BD1 IN COMPLEX WITH COMPOUND 15

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-11
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	37.250, 44.310, 78.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.800 - 1.850
R-factor	0.1754
Rwork	0.174
R-free	0.20620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.890
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	BUSTER (2.11.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.800	1.950
High resolution limit [Å]	1.850	1.850
Rmerge	0.041	0.143
Number of reflections	11419	1378
<I/σ(I)>	33.4
Completeness [%]	97.7
Redundancy	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	10 % ethylene glycol, 0.1 M sodium nitrate, 18 %PEG 3350