7Z6D
X-ray structure of the adduct obtained upon reaction of [Rh2(OCOCH3)(OCOCF3)3] with RNase A (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) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 101.690, 33.120, 73.450 |
| Unit cell angles | 90.00, 90.13, 90.00 |
Refinement procedure
| Resolution | 50.850 - 1.450 |
| Rwork | 0.202 |
| R-free | 0.23210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jvt |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.830 |
| 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] | 50.850 | 1.480 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.185 | 0.796 |
| Rpim | 0.135 | 0.557 |
| Number of reflections | 43428 | 2151 |
| <I/σ(I)> | 11.8 | 3.1 |
| Completeness [%] | 99.0 | 100 |
| Redundancy | 5.2 | 5.6 |
| CC(1/2) | 0.998 | 0.670 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.1 | 298 | 0.01 M sodium citrate pH 5.1; 22% PEG 4K |
