5A0B
Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MAR MAR IP |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 77.459, 77.459, 149.625 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.940 - 2.230 |
| R-factor | 0.17495 |
| Rwork | 0.173 |
| R-free | 0.21816 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.914 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.190 | 2.330 |
| High resolution limit [Å] | 2.210 | 2.210 |
| Rmerge | 0.060 | 0.180 |
| Number of reflections | 27533 | |
| <I/σ(I)> | 11.8 | 4.5 |
| Completeness [%] | 92.7 | 80.2 |
| Redundancy | 2.2 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 15% PEG6000, 0.2M AMMONIUM CITRATE |
