5NVW

pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-(cyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 6)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-24
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9174
Spacegroup name	P 41 2 2
Unit cell lengths	93.226, 93.226, 365.081
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.930 - 2.200
R-factor	0.2032
Rwork	0.201
R-free	0.24890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vcb
RMSD bond length	0.008
RMSD bond angle	1.292
Data reduction software	XDS
Data scaling software	Aimless (0.3.11)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.930	48.930	2.240
High resolution limit [Å]	2.200	11.430	2.200
Rmerge	0.141	0.054	0.857
Rmeas	0.153	0.060	0.924
Rpim	0.058	0.025	0.342
Number of reflections	82957
<I/σ(I)>	8.6
Completeness [%]	99.8	98.9	100
Redundancy	6.7	5.7	7.1
CC(1/2)	0.997	0.998	0.837

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	291	PEG 3350, MgOAc, Sodium cacodylate, DTT