4G49
Room temperature X-ray diffraction of cisplatin binding to HEWL in aqueous media after 15 months of crystal storage
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 295 |
| Detector technology | CCD |
| Collection date | 2012-01-28 |
| Detector | APEX II CCD |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 78.671, 78.671, 38.068 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.629 - 2.400 |
| R-factor | 0.1773 |
| Rwork | 0.176 |
| R-free | 0.20955 |
| Structure solution method | MIR |
| Starting model (for MR) | 2w1y |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.417 |
| Data reduction software | EVAL15 |
| Data scaling software | EVAL15 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.629 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.151 | 0.623 |
| Number of reflections | 4770 | |
| <I/σ(I)> | 13.7 | 3.9 |
| Completeness [%] | 50.0 | 100 |
| Redundancy | 10.8 | 8.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH | 4.7 | 295 | HEWL co-crystallized with cisplatin in 1 mL 10% sodium chloride + 1 ml 0.04 M sodium acetate, pH 4.7, BATCH, temperature 295K |
