8BOY
X-ray structure of the adduct formed upon reaction of the five-coordinate Pt(II) complex, 1-Me,Me, with HEWL at pH 4.0
This is a non-PDB format compatible entry.
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 | 2022-06-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 77.500, 77.500, 37.580 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.801 - 1.330 |
| Rwork | 0.185 |
| R-free | 0.21880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 193l |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.763 |
| 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] | 54.801 | 1.350 |
| High resolution limit [Å] | 1.330 | 1.330 |
| Rmerge | 0.038 | 1.251 |
| Number of reflections | 27087 | 1342 |
| <I/σ(I)> | 30.3 | 2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13 | 12.7 |
| CC(1/2) | 1.000 | 0.812 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 293 | 20% ethylene glycol 0.1 M sodium acetate pH 4.0 0.6 M sodium Nitrate |
