5A0A
Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH MAR IP |
| Spacegroup name | P 63 |
| Unit cell lengths | 72.712, 72.712, 69.583 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 63.250 - 1.780 |
| R-factor | 0.17146 |
| Rwork | 0.170 |
| R-free | 0.20427 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ppg |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.520 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.250 | 1.870 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.110 | 0.880 |
| Number of reflections | 19759 | |
| <I/σ(I)> | 6.5 | 0.9 |
| Completeness [%] | 98.3 | 89.5 |
| Redundancy | 1 | 1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 28%PEG4000,0.1MTRIS/HCL AT PH 8.2,0.7MLICL |
