1SC3
Crystal structure of the human caspase-1 C285A mutant in complex with malonate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 180 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-05-22 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 63.115, 63.115, 162.461 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.800 |
| R-factor | 0.20712 |
| Rwork | 0.205 |
| R-free | 0.23806 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rwn |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.845 |
| Data reduction software | CrystalClear ((MSC/RIGAKU)) |
| Data scaling software | d*TREK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.058 | 0.288 |
| Number of reflections | 31330 | |
| Completeness [%] | 97.6 | 94.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 274 | 2 M sodium malonate, VAPOR DIFFUSION, HANGING DROP, temperature 274K |
