9EX0
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 A)
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 PILATUS3 6M |
Wavelength(s) | 1.00 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 80.550, 80.550, 36.280 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.957 - 1.450 |
Rwork | 0.196 |
R-free | 0.21890 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.691 |
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] | 56.960 | 1.470 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.085 | 1.199 |
Rmeas | 0.088 | 1.241 |
Rpim | 0.024 | 0.318 |
Number of reflections | 21715 | 1046 |
<I/σ(I)> | 16.8 | |
Completeness [%] | 99.8 | 100 |
Redundancy | 14.2 | 14.8 |
CC(1/2) | 0.999 | 0.831 |
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 |