6ZS2

Crystal Structure of the bromodomain of human transcription activator BRG1 (SMARCA4) in complex with 2-(6-amino-5-(piperazin-1-yl)pyridazin-3-yl)phenol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-26
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.91842
Spacegroup name	P 1 21 1
Unit cell lengths	41.180, 64.910, 48.770
Unit cell angles	90.00, 100.88, 90.00

Refinement procedure

Resolution	34.249 - 1.570
R-factor	0.180774575223
Rwork	0.179
R-free	0.21532
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dkd
RMSD bond length	0.005
RMSD bond angle	0.773
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.300	1.600
High resolution limit [Å]	1.570	1.570
Rmerge	0.061	0.246
Number of reflections	35278	1915
<I/σ(I)>	16.1	6.8
Completeness [%]	99.8	99.7
Redundancy	6.2
CC(1/2)	0.998	0.973

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Crystallization buffer: 20% medium-molecular-weight PEG smear, 0.1 M Tris pH 8.5