9OTU
Crystal Structure of Salmonella FraB Deglycase, E214A Mutant, Crystal Form 5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-07-19 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979310 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 114.417, 114.417, 154.469 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 99.088 - 1.873 |
| Rwork | 0.268 |
| R-free | 0.33330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.761 |
| Data reduction software | XDS (Feb 5, 2021 (BUILT 20210205)) |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.088 | 2.152 |
| High resolution limit [Å] | 1.873 | 1.873 |
| Rmerge | 0.078 | 0.886 |
| Rpim | 0.026 | 0.354 |
| Number of reflections | 35409 | 1769 |
| <I/σ(I)> | 15.8 | 2.2 |
| Completeness [%] | 36.7 | |
| Redundancy | 9.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 18% w/v PEG6000, 0.2 M magnesium chloride, 0.1 M MES, pH 6.0 |
