8C3B
X-ray structure of RNase A upon reaction with a Ruthenium(II)-arene Complexed with Glycosylated Carbene Ligands (5)
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 | 2021-03-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.740, 32.920, 72.630 |
| Unit cell angles | 90.00, 90.01, 90.00 |
Refinement procedure
| Resolution | 72.630 - 1.240 |
| Rwork | 0.192 |
| R-free | 0.22690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jvt |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.795 |
| 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] | 72.630 | 1.390 |
| High resolution limit [Å] | 1.240 | 1.370 |
| Rmerge | 0.034 | 0.863 |
| Number of reflections | 59589 | 2458 |
| <I/σ(I)> | 21.7 | 2.1 |
| Completeness [%] | 99.2 | 99.8 |
| Redundancy | 6.2 | 6.5 |
| CC(1/2) | 0.999 | 0.763 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.1 | 293 | 22% PEG4k, 10 mM sodium citrate pH 5.1 |
