5OBE
X-ray structure of the adduct formed upon reaction of ribonuclease A with the compound fac-[RuII(CO)3Cl2(N3-MBI), MBI=methyl-benzimidazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-10-06 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.651, 32.983, 73.046 |
| Unit cell angles | 90.00, 90.21, 90.00 |
Refinement procedure
| Resolution | 73.050 - 1.820 |
| R-factor | 0.16896 |
| Rwork | 0.165 |
| R-free | 0.23577 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1JVT mol A |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.771 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.050 | 1.850 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.072 | 0.384 |
| Number of reflections | 21285 | |
| <I/σ(I)> | 6.3 | 1.7 |
| Completeness [%] | 97.6 | 95.4 |
| Redundancy | 2.4 | 1.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 22% PEG4K, 10 mM sodium citrate pH 5.1 Soaking: 3 days Ligand con-centration: 5 mM |
