6HAZ

Crystal structure of the bromodomain of human SMARCA2 in complex with SMARCA-BD ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.99993
Spacegroup name	P 41
Unit cell lengths	42.549, 42.549, 164.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.000 - 1.310
R-factor	0.179
Rwork	0.178
R-free	0.19300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qy4
RMSD bond length	0.010
RMSD bond angle	0.920
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.549	1.476
High resolution limit [Å]	1.310	1.310
Rmerge	0.072	1.059
Rmeas	0.084	1.177
Rpim	0.044	0.497
Number of reflections	66651	2249
<I/σ(I)>	9.9	1.6
Completeness [%]	99.5	69.7
Redundancy	6.7	7.1
CC(1/2)	0.999	0.600

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.1	277	25% (w/v) PEG 6000, 0.1 M HEPES, pH 6.1, 0.01M zinc chloride, 0.01 M cobalt (III) hexamine chloride, 8% (v/v) ethylene glycol