2C2Z
Crystal structure of caspase-8 in complex with aza-peptide Michael acceptor inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-21 |
| Detector | MARRESEARCH |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 62.520, 62.520, 129.940 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 1.950 |
| R-factor | 0.171 |
| Rwork | 0.171 |
| R-free | 0.18700 |
| Structure solution method | OTHER |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.020 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.050 | 0.090 |
| Number of reflections | 22937 | |
| <I/σ(I)> | 29.61 | 20.38 |
| Completeness [%] | 98.9 | 99.6 |
| Redundancy | 7.8 | 7.55 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 1.4M SODIUM CITRATE, 100MM HEPES PH 8.0 |
