6FMK
pVHL:EloB:EloC in complex with N-((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamothioyl) pyrrolidin-1-yl)-1-thioxopropan-2-yl)acetamide (ligand 4)
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 | 94.768, 94.768, 365.819 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.380 - 2.750 |
R-factor | 0.19905 |
Rwork | 0.196 |
R-free | 0.25960 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.194 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.9) |
Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.380 | 2.850 |
High resolution limit [Å] | 2.750 | 2.750 |
Number of reflections | 44616 | |
<I/σ(I)> | 10.6 | |
Completeness [%] | 100.0 | |
Redundancy | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | PEG 3350, MgOAc, Sodium cacodylate, DTT |