6GFZ

pVHL:EloB:EloC in complex with modified VH032 containing (3S,4S)-3-fluoro-4-hydroxyproline (ligand 14b)

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	2015-12-01
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 41 2 2
Unit cell lengths	93.609, 93.609, 364.511
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.010 - 2.300
R-factor	0.1974
Rwork	0.195
R-free	0.24490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nvv
RMSD bond length	0.008
RMSD bond angle	1.311
Data reduction software	XDS
Data scaling software	Aimless (0.3.11)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.010	49.010	2.350
High resolution limit [Å]	2.300	11.270	2.300
Rmerge	0.085	0.030	0.898
Rmeas	0.091	0.033	0.954
Rpim	0.030	0.013	0.315
Number of reflections	73389	773	4441
<I/σ(I)>	14.5
Completeness [%]	100.0	98.8	100
Redundancy	8.8	6.9	8.9
CC(1/2)	0.999	0.999	0.820

Crystallization Conditions

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