8ZXG
Crystal structure of Paraoxonase from Bacillus sp. strain S3wahi
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 293.15 |
| Detector technology | PIXEL |
| Collection date | 2024-05-15 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 77.823, 77.823, 135.266 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.010 - 1.494 |
| Rwork | 0.183 |
| R-free | 0.19500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AlphaFold |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.959 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.010 | 1.520 |
| High resolution limit [Å] | 1.494 | 1.494 |
| Rmerge | 0.043 | 2.083 |
| Rmeas | 0.044 | 2.164 |
| Rpim | 0.012 | 0.579 |
| Number of reflections | 67871 | 3313 |
| <I/σ(I)> | 29.4 | |
| Completeness [%] | 100.0 | 99.25 |
| Redundancy | 13.3 | 13.47 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.1 M MES monohydrate pH 6.5 1.6 M Magensium sulfate heptahydrate |
