4W9I

pVHL:EloB:EloC in complex with (2S,4R)-1-((2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 10)

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	93.402, 93.402, 364.322
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	93.400 - 2.400
R-factor	0.2275
Rwork	0.225
R-free	0.27490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vcb
RMSD bond length	0.007
RMSD bond angle	1.195
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]	93.402	48.935	2.530
High resolution limit [Å]	0.993	7.590	2.400
Rmerge		0.044	0.732
Rmeas	0.165
Rpim	0.053	0.018	0.277
Total number of observations	614270	19307	81816
Number of reflections	64415
<I/σ(I)>	9	23.9	2
Completeness [%]	100.0	99.3	100
Redundancy	9.5	8.4	8.9

Crystallization Conditions

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