4W9C
pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(oxazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 2)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-08-31 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9393 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 93.779, 93.779, 366.034 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 93.779 - 2.200 |
R-factor | 0.2085 |
Rwork | 0.206 |
R-free | 0.25090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vcb |
RMSD bond length | 0.008 |
RMSD bond angle | 1.248 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.21) |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 93.779 | 49.147 | 2.320 |
High resolution limit [Å] | 0.993 | 6.960 | 2.200 |
Rmerge | 0.033 | 0.687 | |
Rmeas | 0.113 | ||
Rpim | 0.038 | 0.014 | 0.264 |
Total number of observations | 608442 | 19385 | 89034 |
Number of reflections | 83149 | ||
<I/σ(I)> | 12.8 | 31.7 | 2.5 |
Completeness [%] | 98.9 | 94.8 | 99.9 |
Redundancy | 7.3 | 6.8 | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 291 | PEG 3350, MgOAc, Sodium cacodylate, DTT |