1LKA
Porcine Pancreatic Elastase/Ca-Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X31 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X31 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.140, 58.110, 74.280 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.700 |
| Rwork | 0.169 |
| R-free | 0.21600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qnj |
| RMSD bond length | 0.010 |
| RMSD bond angle | 2.100 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.085 | 0.015 |
| Total number of observations | 386243 * | |
| Number of reflections | 24469 * | |
| <I/σ(I)> | 31.8 | 19.9 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 15.78 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.1 | 298 * | sodium acetate, sodium citrate, calcium chloride, pH 5.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 12 (mg/ml) | |
| 2 | 1 | reservoir | sodium acetate | 100 (mM) | pH5.1 |
| 3 | 1 | reservoir | sodium citrate | 50 (mM) | |
| 4 | 1 | reservoir | 5 (mM) |
