8PTE
Polyoxidovanadate interaction with proteins: crystal structure of lysozyme bound to octadecavanadate ion (structure B)
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 11.2C |
Synchrotron site | ELETTRA |
Beamline | 11.2C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-06-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.96 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 80.390, 80.390, 36.510 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.128 - 1.797 |
Rwork | 0.180 |
R-free | 0.23250 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 2.071 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.190 | 1.830 |
High resolution limit [Å] | 1.790 | 1.790 |
Rmerge | 0.104 | 1.060 |
Number of reflections | 11611 | 576 |
<I/σ(I)> | 33.6 | 4.6 |
Completeness [%] | 99.8 | 100 |
Redundancy | 20 | 15 |
CC(1/2) | 1.000 | 0.912 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 298 | 20% ethylene glycol, 0.1 M sodium acetate buffer pH 4.0, 0.6 M sodium nitrate |