8G26
Crystal Structure of Cathepsin-G and Neutrophil Elastase Inhibited by S. aureus EapH2 at pH 8.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-12-09 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.459, 68.923, 82.524 |
| Unit cell angles | 90.00, 102.38, 90.00 |
Refinement procedure
| Resolution | 39.560 - 1.850 |
| R-factor | 0.2043 |
| Rwork | 0.203 |
| R-free | 0.23760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB entries 1AU8 1hne & 1YN5 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.888 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (v1.19.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 3.990 | 1.850 |
| Rpim | 0.063 | 0.038 | 0.657 |
| Total number of observations | 293741 | ||
| Number of reflections | 46050 | 8820 | 8976 |
| <I/σ(I)> | 11.7 | ||
| Completeness [%] | 98.8 | 97.7 | 99.4 |
| Redundancy | 3.3 | 3.4 | 3 |
| CC(1/2) | 0.984 | 0.992 | 0.560 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1 M Tris, 0.2 M magnesium chloride, 25% PEG3350 |
