5E9L

Crystal Structure of BAZ2B bromodomain in complex with fragment F103

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-05
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	80.919, 96.209, 57.779
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.100 - 1.900
R-factor	0.1812
Rwork	0.179
R-free	0.21160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ir5
RMSD bond length	0.007
RMSD bond angle	1.036
Data reduction software	XDS
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.100	48.100	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.051	0.021	0.715
Rpim	0.022	0.009	0.297
Total number of observations	116104	1172	7549
Number of reflections	18071
<I/σ(I)>	18.2	52.8	2.4
Completeness [%]	99.7	98.9	99.3
Redundancy	6.4	5.9	6.7
CC(1/2)	0.999	0.998	0.911

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	PEG500MME (20%), PEG1000 (2%), PEG3350 (2%), PEG20000 (10%), MPD (2%)