9FRZ
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 | 2021-06-05 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 1.03 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.341, 67.420, 47.463 |
| Unit cell angles | 90.00, 102.02, 90.00 |
Refinement procedure
| Resolution | 46.420 - 1.700 |
| R-factor | 0.1566 |
| Rwork | 0.155 |
| R-free | 0.18350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.154 |
| 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] | 46.420 | 1.761 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 29867 | 1557 |
| <I/σ(I)> | 11.04 | |
| Completeness [%] | 99.1 | |
| Redundancy | 2 | |
| CC(1/2) | 0.997 | 0.814 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 0.01 M tri-Sodium citrate, 33% (w/v) PEG 6000 |
