5A09
Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
| Synchrotron site | MPG/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 63 |
| Unit cell lengths | 72.770, 72.770, 69.626 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 63.250 - 1.810 |
| R-factor | 0.18524 |
| Rwork | 0.182 |
| R-free | 0.23944 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ppg |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.482 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.250 | 1.900 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Rmerge | 0.100 | 0.590 |
| <I/σ(I)> | 3.9 | 1.1 |
| Completeness [%] | 96.4 | 90.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 28%PEG4000, 0.1MTRIS/HCL AT PH 8.2, 0.7MLICL |
