8QZU
XhpG hydrolase mutant S98A of Xenorhabdus hominickii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-04-28 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.82656 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 48.830, 68.540, 75.480 |
| Unit cell angles | 90.00, 98.11, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.180 |
| R-factor | 0.16778 |
| Rwork | 0.166 |
| R-free | 0.19625 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.737 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.500 | 1.210 |
| High resolution limit [Å] | 1.180 | 1.180 |
| Rmerge | 0.041 | 1.480 |
| Rmeas | 0.044 | 1.611 |
| Rpim | 0.017 | 0.625 |
| Total number of observations | 541333 | 34900 |
| Number of reflections | 78411 | 5480 |
| <I/σ(I)> | 17.9 | 1.2 |
| Completeness [%] | 98.0 | |
| Redundancy | 6.9 | 6.4 |
| CC(1/2) | 0.999 | 0.674 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 20% PEG 8K, 200mM Magnesium acetate, 100mM sodium Cacodylate |
