9HNB
X-ray structure of the adduct formed upon reaction of the diiodido analogue of picoplatin with human serum albumin
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 | 2020-12-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.070, 86.550, 59.500 |
| Unit cell angles | 90.00, 102.55, 90.00 |
Refinement procedure
| Resolution | 47.420 - 3.900 |
| Rwork | 0.292 |
| R-free | 0.32750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.502 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.420 | 3.970 |
| High resolution limit [Å] | 3.900 | 3.900 |
| Rmerge | 0.139 | 0.929 |
| Rmeas | 1.097 | |
| Rpim | 0.573 | |
| Number of reflections | 5252 | 260 |
| <I/σ(I)> | 7.3 | 2.5 |
| Completeness [%] | 99.0 | 99.6 |
| Redundancy | 3.4 | 3.5 |
| CC(1/2) | 0.986 | 0.568 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 25-30% PEG3350 -50 mM potassium phosphate buffer pH 7.5 |
