4W9H

pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-acetamido-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 7)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-04-27
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 41 2 2
Unit cell lengths	92.980, 92.980, 364.372
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	93.100 - 2.100
R-factor	0.212
Rwork	0.210
R-free	0.25330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vcb
RMSD bond length	0.008
RMSD bond angle	1.336
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]	93.100	48.816	2.210
High resolution limit [Å]	0.991	6.640	2.100
Rmerge		0.032	0.831
Rmeas	0.124
Rpim	0.049	0.017	0.380
Total number of observations	613573	19133	89745
Number of reflections	94556
<I/σ(I)>	9.6	23.2	2
Completeness [%]	99.9	99.6	100
Redundancy	6.5	5.7	6.6

Crystallization Conditions

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