4G4C
Room temperature X-ray diffraction study of carboplatin binding to HEWL in DMSO media after 13 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 | 2012-01-12 |
| Detector | APEX II CCD |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 79.231, 79.231, 37.890 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.025 - 2.000 |
| R-factor | 0.16249 |
| Rwork | 0.161 |
| R-free | 0.20319 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w1y |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.831 |
| Data reduction software | EVAL15 (15) |
| Data scaling software | EVAL15 (15) |
| Phasing software | PHASER (MR) |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.025 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.157 | 0.855 |
| Number of reflections | 8170 | |
| <I/σ(I)> | 18 | 4.1 |
| Completeness [%] | 52.0 | 97.5 |
| Redundancy | 18.3 | 10 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH | 4.7 | 295 | HEWL co-crystallized with carboplatin (with DMSO added) in 1 mL 10% sodium chloride + 1 ml 0.04 M sodium acetate, pH 4.7, BATCH, temperature 295K |
