7P8R
X-ray structure of the adduct of a vanadium picolinate complex with RNase A at pH 5.1
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 | 2021-05-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.96 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.230, 33.020, 72.710 |
| Unit cell angles | 90.00, 90.16, 90.00 |
Refinement procedure
| Resolution | 72.710 - 1.270 |
| Rwork | 0.158 |
| R-free | 0.22220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jvt |
| RMSD bond length | 0.017 |
| RMSD bond angle | 3.549 |
| 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] | 72.710 | 1.290 |
| High resolution limit [Å] | 1.268 | 1.268 |
| Rmerge | 0.095 | 0.664 |
| Rmeas | 0.105 | 0.761 |
| Rpim | 0.042 | 0.365 |
| Number of reflections | 58090 | 2507 |
| <I/σ(I)> | 8.6 | 2.1 |
| Completeness [%] | 91.3 | 79.8 |
| Redundancy | 5 | 4.2 |
| CC(1/2) | 0.992 | 0.828 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.1 | 293 | 22% PEG 4K 10 mM sodium citrate pH 5.1 |
