5OBC
X-ray structure of the adduct formed upon reaction of ribonuclease A with the compound fac-[RuII(CO)3Cl2(N3-IM), IM=imidazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-04-08 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.552, 32.698, 74.688 |
| Unit cell angles | 90.00, 90.64, 90.00 |
Refinement procedure
| Resolution | 74.680 - 2.070 |
| R-factor | 0.18592 |
| Rwork | 0.181 |
| R-free | 0.27221 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1JVT (mol A) |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.726 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.680 | 2.110 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rmerge | 0.085 | 0.548 |
| Number of reflections | 14981 | |
| <I/σ(I)> | 9.5 | 2.5 |
| Completeness [%] | 99.0 | 94.2 |
| Redundancy | 3.1 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 18% PEG4K, 10 mM sodium citrate pH 5.1 Soaking: 4 days Ligand concen-tration: 5 mM |
