2CJY
Extended substrate recognition in caspase-3 revealed by high resolution X-ray structure analysis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-01-20 |
| Detector | MARRESEARCH |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 67.468, 83.834, 96.176 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.600 - 1.670 |
| R-factor | 0.176 |
| Rwork | 0.176 |
| R-free | 0.20600 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.300 |
| 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 | 1.750 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Rmerge | 0.040 | 0.180 |
| Number of reflections | 28626 | |
| <I/σ(I)> | 16.1 | 5.7 |
| Completeness [%] | 89.3 | 80.9 |
| Redundancy | 2.5 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.75 | PEG6000, 100 MM SODIUM CITRATE PH 4.75 |
