5E9Y

Crystal Structure of BAZ2B bromodomain in complex with MPD

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	2015-05-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	C 2 2 21
Unit cell lengths	81.317, 96.190, 57.749
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.289 - 1.650
R-factor	0.1794
Rwork	0.178
R-free	0.20420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ir5
RMSD bond length	0.006
RMSD bond angle	1.016
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	1.680
High resolution limit [Å]	1.650	9.040	1.650
Rmerge	0.043	0.040	0.633
Rpim	0.018	0.018	0.263
Total number of observations	181473	1155	8915
Number of reflections	27621
<I/σ(I)>	20.2	47.9	2.9
Completeness [%]	99.9	98.7	99.9
Redundancy	6.6	5.8	6.7
CC(1/2)	0.999	0.997	0.938

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%)