29MR
X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2(D-p-FPhF)(O2CCH3)2(O2CO)]
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 | 2022-06-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 77.830, 77.830, 37.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.945 - 1.420 |
| Rwork | 0.193 |
| R-free | 0.22550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 2.024 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0431) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.920 | 1.360 |
| High resolution limit [Å] | 1.340 | 1.340 |
| Number of reflections | 26206 | 1288 |
| <I/σ(I)> | 27 | |
| Completeness [%] | 99.9 | |
| Redundancy | 12.9 | |
| CC(1/2) | 1.000 | 0.808 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 293 | 20% ethylene glycol, 0.1 M sodium acetate at pH 4.0, and 0.6 M sodium nitrate |
