5A8X
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 | MARRESEARCH |
| Spacegroup name | P 63 |
| Unit cell lengths | 73.795, 73.795, 70.010 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 63.890 - 2.230 |
| R-factor | 0.17614 |
| Rwork | 0.174 |
| R-free | 0.22284 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.349 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 31.960 |
| High resolution limit [Å] | 2.210 |
| Rmerge | 0.120 |
| Number of reflections | 85678 |
| <I/σ(I)> | 6.1 |
| Completeness [%] | 97.2 |
| Redundancy | 8.06 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
