5DYU

Crystal Structure of BAZ2B bromodomain in complex with fragment F39

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	80.792, 96.147, 57.768
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.070 - 1.650
R-factor	0.1773
Rwork	0.176
R-free	0.19690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ir5
RMSD bond length	0.006
RMSD bond angle	1.052
Data reduction software	XDS (0.3.11)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.070	48.070	1.680
High resolution limit [Å]	1.650	9.040	1.650
Rmerge	0.054	0.037	0.621
Rpim	0.023	0.016	0.255
Total number of observations	179350	1168	8708
Number of reflections	27388
<I/σ(I)>	15.4	36.8	2.4
Completeness [%]	99.9	99.2	100
Redundancy	6.5	5.8	6.6
CC(1/2)	0.998	0.998	0.923

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%)