4W9G
pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(3-methyl-4-(thiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 6)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-05-10 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 93.487, 93.487, 363.891 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 93.490 - 2.700 |
R-factor | 0.2238 |
Rwork | 0.222 |
R-free | 0.26380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vcb |
RMSD bond length | 0.005 |
RMSD bond angle | 1.046 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.21) |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.900 | 2.850 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.158 | 0.638 |
Number of reflections | 45646 | |
<I/σ(I)> | 6.9 | 2 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.5 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 291 | PEG 3350, MgOAc, Sodium cacodylate, DTT |