1QX3
Conformational restrictions in the active site of unliganded human caspase-3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 98 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9200 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 70.260, 96.190, 44.170 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| Rwork | 0.249 |
| R-free | 0.28000 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cp3 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.170 * |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 * | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.061 * | |
| Total number of observations | 64161 * | |
| Number of reflections | 21234 | |
| <I/σ(I)> | 13.5 | 13.5 |
| Completeness [%] | 87.5 | 78.6 |
| Redundancy | 3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | 4-6% PEG 8000, 5-7% isopropanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | HEPES | 25 (mM) | pH7.5 |
| 2 | 1 | reservoir | PEG8000 | 4-6 (%) | |
| 3 | 1 | reservoir | isopropanol | 5-7 (%) |
