5NW0

pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-(1-acetamidocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 17)

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	94.771, 94.771, 368.359
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.570 - 2.300
R-factor	0.1971
Rwork	0.195
R-free	0.23850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vcb
RMSD bond length	0.007
RMSD bond angle	1.206
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]	49.570	49.570	2.350
High resolution limit [Å]	2.300	11.500	2.300
Rmerge	0.088	0.029	0.802
Rmeas	0.094	0.031	0.856
Rpim	0.034	0.012	0.297
Number of reflections	75814
<I/σ(I)>	15
Completeness [%]	99.8	99	99.9
Redundancy	7.7	6.6	8.1
CC(1/2)	0.999	1.000	0.858

Crystallization Conditions

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