5NVV
pVHL:EloB:EloC in complex with (2S,4R)-4-hydroxy-1-((S)-2-(2-hydroxyacetamido)-3,3-dimethylbutanoyl)-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 I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-11-24 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9174 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 93.299, 93.299, 364.958 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.940 - 2.100 |
R-factor | 0.2051 |
Rwork | 0.203 |
R-free | 0.24500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vcb |
RMSD bond length | 0.007 |
RMSD bond angle | 1.268 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.11) |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.940 | 48.940 | 2.140 |
High resolution limit [Å] | 2.100 | 11.500 | 2.100 |
Rmerge | 0.142 | 0.041 | 0.980 |
Rmeas | 0.150 | 0.044 | 1.037 |
Rpim | 0.048 | 0.016 | 0.329 |
Number of reflections | 95188 | ||
<I/σ(I)> | 9.4 | ||
Completeness [%] | 99.8 | 98 | 99.9 |
Redundancy | 8.9 | 7.9 | 9 |
CC(1/2) | 0.998 | 0.999 | 0.841 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 291 | PEG 3350, MgOAc, Sodium cacodylate, DTT |