5NVZ

pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-(1-acetylcyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 16)

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	94.757, 94.757, 368.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.550 - 2.700
R-factor	0.2137
Rwork	0.211
R-free	0.27000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vcb
RMSD bond length	0.007
RMSD bond angle	1.221
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]	49.550	49.550	2.790
High resolution limit [Å]	2.700	10.460	2.700
Rmerge	0.132	0.025	1.006
Rmeas	0.142	0.027	1.080
Rpim	0.051	0.011	0.383
Number of reflections	47321
<I/σ(I)>	11.9
Completeness [%]	99.8	98.4	99.9
Redundancy	7.5	6.3	7.8
CC(1/2)	0.999	1.000	0.759

Crystallization Conditions

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