4PPO
First Crystal Structure for an Oxaliplatin-Protein Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-12-04 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 77.049, 77.049, 37.287 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.480 - 1.730 |
| R-factor | 0.18109 |
| Rwork | 0.180 |
| R-free | 0.23500 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | PDB code 4J1A |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.852 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 54.480 |
| High resolution limit [Å] | 1.729 |
| Rmerge | 0.088 |
| Number of reflections | 12001 |
| Completeness [%] | 97.8 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.4 | 293 | Crystals of HEWL in the presence of Oxaliplatin (protein to metal drug ratio 1:10, incubation time=24 h) have been grown by hanging drop vapour diffusion method using a reservoir solution of 0.6 M NaNO3, 0.1 M sodium acetate pH 4.4 and 20 % ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
