4W9I
pVHL:EloB:EloC in complex with (2S,4R)-1-((2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 10)
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 | 2014-04-27 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 93.402, 93.402, 364.322 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 93.400 - 2.400 |
R-factor | 0.2275 |
Rwork | 0.225 |
R-free | 0.27490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vcb |
RMSD bond length | 0.007 |
RMSD bond angle | 1.195 |
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] | 93.402 | 48.935 | 2.530 |
High resolution limit [Å] | 0.993 | 7.590 | 2.400 |
Rmerge | 0.044 | 0.732 | |
Rmeas | 0.165 | ||
Rpim | 0.053 | 0.018 | 0.277 |
Total number of observations | 614270 | 19307 | 81816 |
Number of reflections | 64415 | ||
<I/σ(I)> | 9 | 23.9 | 2 |
Completeness [%] | 100.0 | 99.3 | 100 |
Redundancy | 9.5 | 8.4 | 8.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 291 | PEG 3350, MgOAc, Sodium cacodylate, DTT |