4W9L

pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-((S)-2-acetamido-3,3-dimethylbutanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 15)

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	93.825, 93.825, 362.612
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	93.820 - 2.200
R-factor	0.2058
Rwork	0.204
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vcb
RMSD bond length	0.008
RMSD bond angle	1.284
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]	93.825	46.912	2.320
High resolution limit [Å]	0.991	6.960	2.200
Rmerge		0.029	0.910
Rmeas	0.095
Rpim	0.035	0.014	0.388
Total number of observations	533045	16688	76390
Number of reflections	81578
<I/σ(I)>	13.5	34.7	2.5
Completeness [%]	98.3	95.1	99.4
Redundancy	6.5	6	6.4

Crystallization Conditions

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