8CQE

pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-(1-Fluorocyclopropane-1-carboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-((S)-1-(2-methyl-4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide (Compound 37)

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	2022-07-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.99
Spacegroup name	P 41 21 2
Unit cell lengths	92.971, 92.971, 362.047
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	90.050 - 2.850
R-factor	0.2454
Rwork	0.243
R-free	0.29680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.949
Data reduction software	XDS (1.0.5)
Data scaling software	Aimless (version 0.7.8)
Phasing software	PHASER (1.20.1-4487)
Refinement software	PHENIX (1.18.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	181.020	3.000
High resolution limit [Å]	2.850	2.850
Rmerge	0.897	4.704
Rmeas	0.915	4.798
Rpim	0.180	0.938
Total number of observations	984482	142660
Number of reflections	38541	5521
<I/σ(I)>	5.1	1.3
Completeness [%]	100.0
Redundancy	25.5	25.8
CC(1/2)	0.987	0.465

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M sodium cacodylate, pH 6.0-6.3, 15-20% polyethylene glycol 3350, 0.2 M magnesium acetate, 10 mM DTT