7Z78

Crystal structure of compound 4 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB

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	2017-09-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9999
Spacegroup name	P 31
Unit cell lengths	61.064, 61.064, 89.275
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.400 - 1.320
R-factor	0.188
Rwork	0.187
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5t35 4qy4
RMSD bond length	0.008
RMSD bond angle	0.850
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	BUSTER
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	89.270	1.347
High resolution limit [Å]	1.320	1.324
Number of reflections	60981	51
<I/σ(I)>	16.3
Completeness [%]	94.0
Redundancy	5.1
CC(1/2)	0.999	0.480

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	8% ethylene glycol, 25% PEG 6000, 0.1 M HEPES pH 8.0 and 10 mM zinc chloride