8AJ3
X-ray structure of lysozyme obtained upon reaction with [VIVO(malt)2] (Structure A)
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 | 2021-07-28 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 76.890, 76.890, 38.050 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.369 - 1.130 |
| Rwork | 0.199 |
| R-free | 0.24930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 193l |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.883 |
| 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] | 54.370 | 1.150 |
| High resolution limit [Å] | 1.130 | 1.130 |
| Rmerge | 0.060 | 0.339 |
| Number of reflections | 42289 | 1866 |
| <I/σ(I)> | 28.4 | 3.4 |
| Completeness [%] | 97.3 | 87.9 |
| Redundancy | 16.1 | 5 |
| CC(1/2) | 0.999 | 0.926 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 293 | 2.0 M sodium formate and 0.1 M Hepes, pH 7.5 |
