9FRY
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 | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-06-11 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.034, 50.399, 125.757 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.780 - 1.350 |
| R-factor | 0.1317 |
| Rwork | 0.131 |
| R-free | 0.14350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.148 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.780 | 1.630 |
| High resolution limit [Å] | 1.350 | 1.600 |
| Number of reflections | 163451 | 1857 |
| <I/σ(I)> | 14.58 | |
| Completeness [%] | 99.5 | |
| Redundancy | 6 | |
| CC(1/2) | 1.000 | 0.995 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 0.1 M sodium citrate pH 5.5, 35% (v/v) 2-ethoxyethanol |
