1NMS
Caspase-3 tethered to irreversible inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-11-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.080 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 123.450, 70.952, 95.860 |
| Unit cell angles | 90.00, 136.42, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.700 |
| R-factor | 0.15266 |
| Rwork | 0.151 |
| R-free | 0.18300 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cp3 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.735 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 * |
| High resolution limit [Å] | 1.700 * |
| Rmerge | 0.053 * |
| Number of reflections | 62041 |
| <I/σ(I)> | 12.2 |
| Completeness [%] | 98.8 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8.5 * | 20 * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5-10 (mg/ml) | |
| 2 | 1 | drop | Tris | 10 (mM) | pH8.5 |
| 3 | 1 | reservoir | sodium citrate | 100 (mM) | pH5.9 |
| 4 | 1 | reservoir | glycerol | 4 (%(v/v)) | |
| 5 | 1 | reservoir | PEG6000 | 10-20 (%(w/v)) | |
| 6 | 1 | reservoir | dithiothreitol | 10 (mM) |
