4W9F

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

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	2012-12-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9763
Spacegroup name	P 41 2 2
Unit cell lengths	92.680, 92.680, 364.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	92.680 - 2.100
R-factor	0.206
Rwork	0.205
R-free	0.22910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vbc
RMSD bond length	0.006
RMSD bond angle	1.212
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	92.680		2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge		0.038	1.303
Rmeas		0.040	1.355
Number of reflections	93841	1228	6856
<I/σ(I)>		45.55	2.66
Completeness [%]		98.7	100
Redundancy			13.4

Crystallization Conditions

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