5NVV

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

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	2014-11-24
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9174
Spacegroup name	P 41 2 2
Unit cell lengths	93.299, 93.299, 364.958
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.940 - 2.100
R-factor	0.2051
Rwork	0.203
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vcb
RMSD bond length	0.007
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]	48.940	48.940	2.140
High resolution limit [Å]	2.100	11.500	2.100
Rmerge	0.142	0.041	0.980
Rmeas	0.150	0.044	1.037
Rpim	0.048	0.016	0.329
Number of reflections	95188
<I/σ(I)>	9.4
Completeness [%]	99.8	98	99.9
Redundancy	8.9	7.9	9
CC(1/2)	0.998	0.999	0.841

Crystallization Conditions

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