9FS0
Pseudomonas aeruginosa Elastase in complex with a phosphonate based inhibitor (R-configured)
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-06-24 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.89 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.784, 50.044, 125.788 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.950 - 1.300 |
| R-factor | 0.1728 |
| Rwork | 0.172 |
| R-free | 0.18840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.289 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.950 | 1.346 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Number of reflections | 68882 | 3368 |
| <I/σ(I)> | 25.77 | |
| Completeness [%] | 100.0 | |
| Redundancy | 2 | |
| CC(1/2) | 1.000 | 0.973 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 0.1 M HEPES pH 6.5, 2.4 M Ammonium sulfate, pH 7.0 |
