7JTO

Crystal structure of Protac MS33 in complex with the WD repeat-containing protein 5 and pVHL:ElonginC:ElonginB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97928
Spacegroup name	P 1 21 1
Unit cell lengths	47.380, 187.830, 49.150
Unit cell angles	90.00, 116.96, 90.00

Refinement procedure

Resolution	46.958 - 1.700
R-factor	0.2009
Rwork	0.200
R-free	0.22530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 2GNQ & 1VCB
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	PHENIX (1.13)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	93.915	93.915	1.790
High resolution limit [Å]	1.700	5.380	1.700
Rmerge		0.035	0.405
Rmeas	0.091	0.041	0.482
Rpim	0.047	0.021	0.258
Total number of observations	296910	10082	40641
Number of reflections	83626	2698	12172
<I/σ(I)>	7.3	18.6	2.7
Completeness [%]	99.9	100	100
Redundancy	3.6	3.7	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293.15	0.1 M HEPES sodium, pH 7.5-8.0, 1.3-1.6 M sodium thiocyanate, 15-20% PEG3350