2C2M
Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-12-19 |
| Detector | MARRESEARCH |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 67.080, 83.900, 96.440 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.720 - 1.940 |
| R-factor | 0.167 |
| Rwork | 0.167 |
| R-free | 0.20800 |
| Structure solution method | OTHER |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.030 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.080 | 0.260 |
| Number of reflections | 19537 | |
| <I/σ(I)> | 12.8 | 4.2 |
| Completeness [%] | 94.3 | 85 |
| Redundancy | 3.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.75 | PEG6000, 100 MM SODIUM CITRATE PH 4.75 |
