4W9D

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-10-04
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9763
Spacegroup name	P 41 2 2
Unit cell lengths	93.901, 93.901, 365.869
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	93.900 - 2.200
R-factor	0.1988
Rwork	0.197
R-free	0.23610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vcb
RMSD bond length	0.009
RMSD bond angle	1.354
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]	93.901	49.172	2.320
High resolution limit [Å]	0.993	6.960	2.200
Rmerge		0.051	0.818
Rmeas	0.112
Rpim	0.032	0.017	0.260
Total number of observations	1023519	33981	140759
Number of reflections	84490
<I/σ(I)>	12.7	27.7	2.9
Completeness [%]	100.0	99.7	100
Redundancy	12.1	11.2	11.6

Crystallization Conditions

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