4OWA
Carboplatin binding to HEWL under sodium iodide crystallisation conditions
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR-H |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-12-09 |
| Detector | APEX II CCD |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 27.138, 62.561, 58.130 |
| Unit cell angles | 90.00, 92.59, 90.00 |
Refinement procedure
| Resolution | 58.070 - 1.796 |
| R-factor | 0.18712 |
| Rwork | 0.184 |
| R-free | 0.24081 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.663 |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.070 | 1.900 |
| High resolution limit [Å] | 1.796 | 1.796 |
| Rmerge | 0.099 | 0.340 |
| Number of reflections | 17152 | |
| <I/σ(I)> | 11.7 | 1.9 |
| Completeness [%] | 94.3 | 78 |
| Redundancy | 5.7 | 1.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.7 | 295 | 20mg HEWL co-crystallised with 1.4mg carboplatin with 75?l DMSO, 462.5?l 0.1M NaAc and 462.5?l 1M NaI solution |
