7QWH
X-ray structure of the adduct formed upon reaction of a vanadium hydroxyquinoline complex with RNase 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 | 2021-05-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.96 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.740, 32.470, 72.860 |
| Unit cell angles | 90.00, 90.51, 90.00 |
Refinement procedure
| Resolution | 50.368 - 1.573 |
| Rwork | 0.174 |
| R-free | 0.22230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jvt |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.736 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.368 | 1.600 |
| High resolution limit [Å] | 1.573 | 1.573 |
| Rmerge | 0.040 | 0.725 |
| Rmeas | 0.044 | 0.826 |
| Rpim | 0.018 | 0.384 |
| Number of reflections | 33104 | 1547 |
| <I/σ(I)> | 21.6 | 2.2 |
| Completeness [%] | 99.0 | 92.9 |
| Redundancy | 6 | 4.5 |
| CC(1/2) | 0.999 | 0.645 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.1 | 293 | 22% PEG4K, 10 mM sodium citrate buffer pH 5.1 |
