6GFY
pVHL:EloB:EloC in complex with modified VH032 containing (3R,4S)-3-fluoro-4-hydroxyproline (ligand 14a)
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 | 2016-08-02 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9282 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 94.115, 94.115, 367.972 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.360 - 2.700 |
R-factor | 0.2022 |
Rwork | 0.199 |
R-free | 0.25840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5nvv |
RMSD bond length | 0.007 |
RMSD bond angle | 1.176 |
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] | 49.360 | 49.360 | 2.790 |
High resolution limit [Å] | 2.700 | 10.460 | 2.700 |
Rmerge | 0.149 | 0.053 | 0.760 |
Rmeas | 0.159 | 0.057 | 0.813 |
Rpim | 0.054 | 0.021 | 0.285 |
Number of reflections | 46704 | 969 | 4440 |
<I/σ(I)> | 8.2 | ||
Completeness [%] | 99.9 | 99.2 | 99.8 |
Redundancy | 8.7 | 7.1 | 8 |
CC(1/2) | 0.997 | 0.998 | 0.815 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 291 | PEG 3350, MgOAc, Sodium cacodylate, DTT |