5NW2

pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-3,3-dimethyl-2-(oxetane-3-carboxamido)butanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 19)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-09-21
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9282
Spacegroup name	P 41 2 2
Unit cell lengths	94.604, 94.604, 368.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.540 - 2.200
R-factor	0.1974
Rwork	0.195
R-free	0.24180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vcb
RMSD bond length	0.008
RMSD bond angle	1.268
Data reduction software	XDS
Data scaling software	Aimless (0.3.11)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.540	49.540	2.240
High resolution limit [Å]	2.200	11.640	2.200
Rmerge	0.120	0.059	0.709
Rmeas	0.128	0.064	0.751
Rpim	0.042	0.023	0.243
Number of reflections	86260
<I/σ(I)>	11
Completeness [%]	100.0	98.8	100
Redundancy	9	7.9	9.3
CC(1/2)	0.998	0.998	0.916

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	291	PEG 3350, MgOAc, Sodium cacodylate, DTT