5NVW
pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-(cyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 6)
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 | 93.226, 93.226, 365.081 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.930 - 2.200 |
R-factor | 0.2032 |
Rwork | 0.201 |
R-free | 0.24890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vcb |
RMSD bond length | 0.008 |
RMSD bond angle | 1.292 |
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] | 48.930 | 48.930 | 2.240 |
High resolution limit [Å] | 2.200 | 11.430 | 2.200 |
Rmerge | 0.141 | 0.054 | 0.857 |
Rmeas | 0.153 | 0.060 | 0.924 |
Rpim | 0.058 | 0.025 | 0.342 |
Number of reflections | 82957 | ||
<I/σ(I)> | 8.6 | ||
Completeness [%] | 99.8 | 98.9 | 100 |
Redundancy | 6.7 | 5.7 | 7.1 |
CC(1/2) | 0.997 | 0.998 | 0.837 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 291 | PEG 3350, MgOAc, Sodium cacodylate, DTT |