2CNO
Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors.
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 | 2004-10-13 |
| Detector | MARRESEARCH |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 69.170, 83.530, 95.760 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.690 - 1.950 |
| R-factor | 0.168 |
| Rwork | 0.168 |
| R-free | 0.19800 |
| 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 | 2.150 |
| High resolution limit [Å] | 1.950 | 2.050 |
| Rmerge | 0.020 | 0.040 |
| Number of reflections | 17682 | |
| <I/σ(I)> | 31.9 | 25.3 |
| Completeness [%] | 95.5 | 97.7 |
| Redundancy | 4.5 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.75 | PEG6000, 100 MM SODIUM CITRATE PH 4.75 |
