8G1P

Co-crystal structure of Compound 11 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	79.523, 115.672, 119.654
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.810 - 2.700
R-factor	0.2124
Rwork	0.209
R-free	0.26990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.877
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.810	2.830
High resolution limit [Å]	2.700	2.700
Rmeas	0.219
Number of reflections	30985	4067
<I/σ(I)>	10.9	2.4
Completeness [%]	100.0
Redundancy	13.3
CC(1/2)	0.996	0.775

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	20% PEG 3350, 0.2M Sodium Chloride