3NS7
Succinic Acid Amides as P2-P3 Replacements for Inhibitors of Interleukin-1beta Converting Enzyme (ICE or Caspase 1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 297 |
| Detector technology | CCD |
| Collection date | 1999-08-07 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 63.950, 63.950, 158.550 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.600 |
| R-factor | 0.214 |
| Rwork | 0.188 |
| Structure solution method | FOURIER SYNTHESIS |
| Data reduction software | XDS |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.800 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.569 | |
| Number of reflections | 10574 | |
| <I/σ(I)> | 11.78 | 2.4 |
| Completeness [%] | 98.2 | 98.2 |
| Redundancy | 3.93 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 276 | pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 276K |
