2V35
Porcine Pancreatic Elastase in complex with inhibitor JM54
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-10-02 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.246, 57.938, 74.688 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.840 - 1.670 |
| R-factor | 0.158 |
| Rwork | 0.156 |
| R-free | 0.18600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qnj |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.220 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.900 | 1.750 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Rmerge | 0.030 | 0.090 |
| Number of reflections | 26474 | |
| <I/σ(I)> | 27.4 | 14.7 |
| Completeness [%] | 96.9 | 79.8 |
| Redundancy | 4.3 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.1 | 100 MM SODIUM ACETATE PH 5.1 200 MM SODIUM SULFATE |
