4A9O

N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 5 ethyl-3-methyl-4-phenyl-1, 2-oxazole

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-07
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	C 1 2 1
Unit cell lengths	113.628, 55.692, 68.077
Unit cell angles	90.00, 94.00, 90.00

Refinement procedure

Resolution	67.880 - 1.780
R-factor	0.17333
Rwork	0.172
R-free	0.19751
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.853
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.880	1.810
High resolution limit [Å]	1.780	1.780
Rmerge	0.050	0.270
Number of reflections	40262
<I/σ(I)>	22.9	3.5
Completeness [%]	99.0	99.7
Redundancy	3.6	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		0.1 M HEPES PH 7.0, 22-26% PEG 3350, 0.2 M (NH4)2SO4