5NVY

pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-acetamidopropanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl) pyrrolidine-2-carboxamide (ligand 11)

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	2016-08-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 41 2 2
Unit cell lengths	93.085, 93.085, 362.983
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.760 - 2.900
R-factor	0.206
Rwork	0.203
R-free	0.26860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vcb
RMSD bond length	0.007
RMSD bond angle	1.250
Data reduction software	XDS
Data scaling software	Aimless (0.5.9)
Refinement software	REFMAC (5.8.0123)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.760	48.760	3.030
High resolution limit [Å]	2.900	10.050	2.900
Rmerge	0.225	0.124	1.101
Rmeas	0.240	0.134	1.168
Rpim	0.082	0.050	0.386
Number of reflections	36661
<I/σ(I)>	7.3
Completeness [%]	100.0	99.1	100
Redundancy	8.5	7.4	8.9
CC(1/2)	0.990	0.990	0.852

Crystallization Conditions

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