7JTP

Crystal structure of Protac MS67 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	2019-06-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97936
Spacegroup name	P 21 21 21
Unit cell lengths	63.831, 98.611, 127.629
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.089 - 2.120
R-factor	0.1924
Rwork	0.191
R-free	0.22380
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]	78.033	78.033	2.230
High resolution limit [Å]	2.050	6.700	2.120
Rmerge		0.054	0.567
Rmeas	0.102	0.060	0.611
Rpim	0.038	0.024	0.226
Total number of observations	331442	11027	48156
Number of reflections	46516	1633	6681
<I/σ(I)>	11.7	25.3	3.4
Completeness [%]	100.0	100	100
Redundancy	7.1	6.8	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293.15	0.1 M Tris, pH 8.5, 30% PEG300