5CUG

Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with 4-Acetamidobenzoic 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)	0.9201
Spacegroup name	C 2 2 21
Unit cell lengths	82.577, 96.721, 58.029
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.692 - 1.780
R-factor	0.2022
Rwork	0.201
R-free	0.23010
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]	29.010	29.010	1.810
High resolution limit [Å]	1.780	8.880	1.780
Rmerge	0.051	0.032	0.844
Rpim	0.021	0.014	0.362
Total number of observations	148969	1272	7756
Number of reflections	22736
<I/σ(I)>	20.1	58.9	2.1
Completeness [%]	99.5	97.3	93.6
Redundancy	6.6	6	6.2
CC(1/2)	0.999	0.999	0.866

Crystallization Conditions

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