6FGV

Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 3

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	2017-07-10
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	94.786, 94.786, 32.780
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.393 - 2.500
R-factor	0.2302
Rwork	0.228
R-free	0.26640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mgj
RMSD bond length	0.005
RMSD bond angle	0.650
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]	47.393	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.106	1.354
Rmeas	0.112	1.435
Rpim	0.035	0.470
Number of reflections	6042	654
<I/σ(I)>	15.8	1.9
Completeness [%]	100.0	100
Redundancy	10.1	9.2
CC(1/2)	0.999	0.875

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	20% PEG3350, 0.2 M MgCl2