6HAX

Crystal structure of PROTAC 2 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97998
Spacegroup name	P 21 21 21
Unit cell lengths	80.508, 116.241, 120.596
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.410 - 2.350
R-factor	0.234
Rwork	0.232
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5t35 4qy4
RMSD bond length	0.010
RMSD bond angle	1.080
Data reduction software	XDS (Jan 26, 2018)
Data scaling software	XSCALE (Jan 26, 2018)
Phasing software	PHASER (2.4.0)
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.410	2.490
High resolution limit [Å]	2.350	2.350
Rmerge	0.179	0.960
Rmeas	0.187	1.003
Number of reflections	47960	7495
<I/σ(I)>	11.76	2.08
Completeness [%]	99.6	97.9
Redundancy	11.9	11.79
CC(1/2)	0.997	0.835

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.75	277	13% (w/v) PEG 3350, 0.2 M sodium formate, 0.1 M HEPES, pH 8.0