3Q2E

Crystal structure of the second bromodomain of human bromodomain and WD repeat-containing protein 1 isoform A (WDR9)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-27
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9700
Spacegroup name	P 61 2 2
Unit cell lengths	51.660, 51.660, 151.360
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.890 - 1.740
R-factor	0.1867
Rwork	0.185
R-free	0.21910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mb3 2oss 2ouo 2grc 2oo1 3dai 3d7c 3dwy
RMSD bond length	0.015
RMSD bond angle	1.450
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.892	28.892	1.830
High resolution limit [Å]	1.740	5.500	1.740
Rmerge	0.088	0.039	0.870
Rmeas		0.043	0.951
Rpim		0.018	0.375
Total number of observations		2782	10973
Number of reflections	12968
<I/σ(I)>	12.9	29	2
Completeness [%]	99.5	97.9	98
Redundancy	6.7	5.6	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	0.2M (NH4)COOCH3, 0.1M BisTris, 25% PEG 3350 , pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K