4W9C

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2013-08-31
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9393
Spacegroup name	P 41 2 2
Unit cell lengths	93.779, 93.779, 366.034
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	93.779 - 2.200
R-factor	0.2085
Rwork	0.206
R-free	0.25090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vcb
RMSD bond length	0.008
RMSD bond angle	1.248
Data reduction software	XDS
Data scaling software	SCALA (3.3.21)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	93.779	49.147	2.320
High resolution limit [Å]	0.993	6.960	2.200
Rmerge		0.033	0.687
Rmeas	0.113
Rpim	0.038	0.014	0.264
Total number of observations	608442	19385	89034
Number of reflections	83149
<I/σ(I)>	12.8	31.7	2.5
Completeness [%]	98.9	94.8	99.9
Redundancy	7.3	6.8	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.3	291	PEG 3350, MgOAc, Sodium cacodylate, DTT