5OB6
X-ray structure of the adduct formed upon reaction of lysozyme 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 | 2014-06-26 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 79.776, 79.776, 36.637 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.410 - 1.880 |
| R-factor | 0.17857 |
| Rwork | 0.175 |
| R-free | 0.24189 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 193l |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.932 |
| 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] | 56.410 | 1.920 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.091 | 0.597 |
| Number of reflections | 9931 | |
| <I/σ(I)> | 13.3 | 2.7 |
| Completeness [%] | 98.2 | 100 |
| Redundancy | 5.1 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1.1 M NaCl, 0.1 M sodium acetate at pH 4.0-4.4. Adduct was prepared by mixing the protein with the metallodrug in a 1:10 molar ratio for 24 h at room temperature before crystallization trials. |
