1GVK
Porcine pancreatic elastase acyl enzyme at 0.95 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-07-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.176, 57.778, 74.409 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.900 * - 0.950* |
| R-factor | 0.122 |
| R-free | 0.14800 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qix |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.142 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.900 * | 0.970 |
| High resolution limit [Å] | 0.950 * | 0.950 * |
| Rmerge | 0.043 | 0.347 |
| Total number of observations | 1038838 * | |
| Number of reflections | 128641 * | |
| <I/σ(I)> | 5.9 | 2.1 |
| Completeness [%] | 92.7 | 60.9 |
| Redundancy | 2.8 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5 | 293 | used microseeding * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | PPE | 50 (mg/ml) | |
| 2 | 1 | drop | N-acetyl-Asn-Pro-Ile-CO2H | 35 (mg/ml) | |
| 3 | 1 | drop | sodium acetate | 100 (mM) | pH5.0 |
| 4 | 1 | reservoir | 50 (mM) |
