9E45
Crystal Structure of FosA from Pseudomonas aeruginosa with Manganese and 1-Hydroxypropylphosphonic acid
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 | 55.281, 64.457, 74.189 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.090 - 1.470 |
| R-factor | 0.1788 |
| Rwork | 0.178 |
| R-free | 0.20680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.825 |
| 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] | 37.090 | 1.510 |
| High resolution limit [Å] | 1.470 | 1.470 |
| Rmerge | 9.379 | |
| Number of reflections | 134206 | 1407 |
| <I/σ(I)> | 7.13 | |
| Completeness [%] | 99.9 | |
| Redundancy | 5.7 | |
| CC(1/2) | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 85 mM K2HPO4 (pH 7.0), 41.5% pentaerythritol propoxylate 17/8 PO/OH (PEP629), 1mM MnCl2 and 40 mM KCl |
