5CQ3

Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with 6-Hydroxypicolinic 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	2013-03-09
Detector	PSI PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	C 2 2 21
Unit cell lengths	80.511, 97.030, 58.203
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.568 - 1.925
R-factor	0.2017
Rwork	0.200
R-free	0.23920
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]	29.100	29.100	1.970
High resolution limit [Å]	1.920	8.600	1.920
Rmerge	0.080	0.039	0.841
Rpim	0.034	0.016	0.368
Total number of observations	112657	1393	6629
Number of reflections	17474
<I/σ(I)>	14.2	39.2	2
Completeness [%]	98.8	97.4	89.2
Redundancy	6.4	6.1	5.8
CC(1/2)	0.998	0.998	0.861

Crystallization Conditions

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