5CQ6

Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with 2,6-Pyridinedicarboxylic acid (SGC - Diamond I04-1 fragment screening)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-03-10
Detector	PSI PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	C 2 2 21
Unit cell lengths	80.845, 96.600, 58.339
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.535 - 1.970
R-factor	0.1914
Rwork	0.190
R-free	0.22170
Structure solution method	MOLECULAR REPLACEMENT
Data scaling software	Aimless (0.1.29)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.170	29.170	2.020
High resolution limit [Å]	1.970	8.800	1.970
Rmerge	0.084	0.029	0.809
Rpim	0.036	0.013	0.354
Total number of observations	106277	1333	6641
Number of reflections	16453
<I/σ(I)>	15.9	57.6	2.1
Completeness [%]	99.3	97.6	93.6
Redundancy	6.5	6.1	5.9
CC(1/2)	0.999	0.999	0.790

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	30% PEG600 , 0.1M MES pH 6.0