7NQ2

C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH (S)-N4-cyclopropyl-N2-methyl-6-(1-phenylethyl)pyridine-2,4-dicarboxamide

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2010-01-31
Detector	RIGAKU SATURN A200
Wavelength(s)	1.54178
Spacegroup name	P 21 21 2
Unit cell lengths	71.889, 52.382, 32.114
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.638 - 1.735
Rwork	0.161
R-free	0.19440
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.004
RMSD bond angle	1.218
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.110	1.830
High resolution limit [Å]	1.730	1.730
Rmerge	0.061	0.400
Number of reflections	12927	1842
<I/σ(I)>	13.2	2.6
Completeness [%]	98.5	98.3
Redundancy	2.8	2.7
CC(1/2)	0.997	0.792

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	30% PEG 300, 0.1M MES buffer pH6.5