4OWB
Cisplatin binding to HEWL under sodium bromide 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 | 2013-11-26 |
| Detector | APEX II CCD |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 78.150, 78.150, 37.433 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.990 - 1.690 |
| R-factor | 0.2077 |
| Rwork | 0.205 |
| R-free | 0.26578 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.375 |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.990 | 1.790 |
| High resolution limit [Å] | 1.690 | 1.694 |
| Rmerge | 0.155 | 0.661 |
| Number of reflections | 24594 | |
| <I/σ(I)> | 29.7 | 1.5 |
| Completeness [%] | 99.8 | 98.7 |
| Redundancy | 55.1 | 9.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.7 | 295 | 20mg HEWL co-crystallised with 1.2mg cisplatin with 75?l DMSO, 462.5?l 0.1M NaAc and 462.5?l 1M NaBr solution |
