7R1P
X-ray structure of the adduct formed upon reaction of the gold(I) N-heterocyclic carbene complex Au1 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 | 2021-07-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.96 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.720, 32.720, 72.710 |
| Unit cell angles | 90.00, 90.26, 90.00 |
Refinement procedure
| Resolution | 50.360 - 1.420 |
| Rwork | 0.189 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jvt |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.791 |
| 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] | 50.360 | 1.450 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Rmerge | 0.073 | 0.599 |
| Rmeas | 0.080 | 0.661 |
| Rpim | 0.031 | 0.248 |
| Number of reflections | 43467 | 2063 |
| <I/σ(I)> | 12.9 | 3.6 |
| Completeness [%] | 96.1 | 94.2 |
| Redundancy | 6.4 | 6.7 |
| CC(1/2) | 0.998 | 0.807 |
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 |
