6FMJ
pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-Acetamidopropanethioyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl) benzyl)pyrrolidine-2-carboxamide (ligand 3)
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 | 2016-12-19 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 93.518, 93.518, 364.314 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.970 - 2.450 |
R-factor | 0.2155 |
Rwork | 0.213 |
R-free | 0.26541 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.234 |
Data reduction software | XDS |
Data scaling software | Aimless (data scaling version: 0.5.9) |
Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.970 | 2.510 |
High resolution limit [Å] | 2.450 | 2.450 |
Number of reflections | 60839 | |
<I/σ(I)> | 10.6 | |
Completeness [%] | 100.0 | |
Redundancy | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | PEG 3350, MgOAc, Sodium cacodylate, DTT |