5OLE
X-ray structure of the adduct formed upon reaction of hen egg white lysozyme with a tetranuclear Pt-thiosemicarbazone compound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-04-04 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 77.387, 77.387, 37.626 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.720 - 1.780 |
| R-factor | 0.18419 |
| Rwork | 0.181 |
| R-free | 0.23829 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 193l |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.875 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.720 | 1.810 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.075 | 0.959 |
| Rpim | 0.032 | 0.959 |
| Number of reflections | 11410 | |
| <I/σ(I)> | 30.1 | 1.1 |
| Completeness [%] | 99.4 | 90.1 |
| Redundancy | 5.8 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% ethylene glycol 0.1 M sodium acetate pH 4.5 0.6 M sodium nitrate |
