9EX2
X-ray structure of a polyoxidovanadate/lysozyme adduct obtained when the protein is treated with [VIVO(acac)2] in 1.1 M NaCl, 0.1 M sodium acetate at pH 4.0 (Structure C)
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 | 2023-05-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 78.330, 78.330, 37.050 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.388 - 1.172 |
Rwork | 0.156 |
R-free | 0.18910 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 2.286 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.390 | 1.190 |
High resolution limit [Å] | 1.170 | 1.170 |
Rmerge | 0.143 | |
Number of reflections | 41982 | 2069 |
<I/σ(I)> | 15.3 | 2.4 |
Completeness [%] | 99.1 | 99.9 |
Redundancy | 23.1 | 16.1 |
CC(1/2) | 0.996 | 0.796 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 293 | 1.1 M NaCl, 0.1 M sodium acetate at pH 4.0 |