3HGP
Structure of porcine pancreatic elastase complexed with a potent peptidyl inhibitor FR130180 determined by high resolution crystallography
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-03 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.71 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.859, 57.049, 74.333 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 0.940 |
| Rwork | 0.107 |
| R-free | 0.12800 |
| Structure solution method | AB INITIO |
| Starting model (for MR) | 1mmj |
| RMSD bond length | 0.017 |
| RMSD bond angle | 0.031 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.170 | 0.970 |
| High resolution limit [Å] | 0.940 | 0.940 |
| Rmerge | 0.072 | 0.392 |
| Number of reflections | 134132 | |
| <I/σ(I)> | 26.4 | 1.7 |
| Completeness [%] | 97.6 | 80 |
| Redundancy | 8.9 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 0.3M sodium sulphate, 0.05M sodium acetate, pH5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
