5CUE

Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with AGN-PC-04G0SS (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	2014-05-20
Detector	PSI PILATUS 6M
Wavelength(s)	0.92001
Spacegroup name	C 2 2 21
Unit cell lengths	82.480, 96.990, 58.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.697 - 2.080
R-factor	0.1857
Rwork	0.184
R-free	0.21510
Structure solution method	MOLECULAR REPLACEMENT
Data scaling software	Aimless (0.2.17)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.700	42.700	2.130
High resolution limit [Å]	2.080	9.300	2.080
Rmerge	0.112	0.066	0.672
Rpim	0.047	0.028	0.280
Total number of observations	92813	1153	6808
Number of reflections	14239
<I/σ(I)>	11.1	25.2	2.7
Completeness [%]	99.1	99.3	99.6
Redundancy	6.5	5.9	6.6
CC(1/2)	0.998	0.999	0.886

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	20% PEG6000, 10% ethylene glycol, 0.1M MES pH 6.0, 0.1M calcium chloride