9E43
Crystal Structure of FosA from Pseudomonas aeruginosa with Manganese and Phosphonoacetate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-1 |
| Synchrotron site | SSRL |
| Beamline | BL12-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-03-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.293, 65.065, 74.164 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.080 - 1.410 |
| R-factor | 0.1772 |
| Rwork | 0.176 |
| R-free | 0.19440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.779 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.080 | 1.450 |
| High resolution limit [Å] | 1.410 | 1.410 |
| Rmerge | 0.079 | 6.316 |
| Number of reflections | 135042 | 1417 |
| <I/σ(I)> | 9.53 | |
| Completeness [%] | 99.7 | |
| Redundancy | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 76 mM K2HPO4 (pH 7.0), 40% PEP629, 1mM MnCl2, and 40 mM KCl |
