6FGW

Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-05
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	94.829, 94.829, 32.738
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.410 - 2.725
R-factor	0.2234
Rwork	0.222
R-free	0.25350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mgj
RMSD bond length	0.002
RMSD bond angle	0.403
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.410	2.860
High resolution limit [Å]	2.720	2.720
Rmerge	0.176	1.394
Rmeas	0.184	1.462
Rpim	0.055	0.436
Number of reflections	4682	589
<I/σ(I)>	11.4	1.9
Completeness [%]	100.0	100
Redundancy	11.1	10.9
CC(1/2)	0.998	0.853

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20% PEG3350, 0.2 M MgCl2