5DYX

Crystal Structure of BAZ2B bromodomain in complex with fragment F59

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	C 2 2 21
Unit cell lengths	81.129, 96.236, 57.783
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.280 - 1.850
R-factor	0.1774
Rwork	0.176
R-free	0.20170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ir5
RMSD bond length	0.007
RMSD bond angle	1.000
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.120	48.120	1.890
High resolution limit [Å]	1.850	9.060	1.850
Rmerge	0.083	0.082	0.733
Rpim	0.035	0.035	0.312
Total number of observations	126337	1151	7319
Number of reflections	19634
<I/σ(I)>	11.8	22.8	2.2
Completeness [%]	99.8	99.2	99.6
Redundancy	6.4	5.7	6.3
CC(1/2)	0.997	0.994	0.865

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%)