1KXR
Crystal Structure of Calcium-Bound Protease Core of Calpain I
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-03-05 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 149.443, 40.492, 132.328 |
| Unit cell angles | 90.00, 105.96, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.070 |
| R-factor | 0.218 * |
| Rwork | 0.213 |
| R-free | 0.25700 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1df0 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.232 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.140 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rmerge | 0.091 | 0.140 * |
| Total number of observations | 119331 * | |
| Number of reflections | 43051 | |
| <I/σ(I)> | 11.3 | 2.8 |
| Completeness [%] | 92.0 | 94.6 |
| Redundancy | 8 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | sodium chloride, calcium chloride, MES, PEG 6000, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | 1.5 (M) | ||
| 2 | 1 | reservoir | PEG6000 | 2 (%) | |
| 3 | 1 | reservoir | MES | 0.1 (M) | pH6.0 |
| 4 | 1 | reservoir | glycerol | 15 (%) | |
| 5 | 1 | reservoir | 10 (mM) | ||
| 6 | 1 | drop | protein | 12.5 (mg/ml) |
