9OTL
Crystal Structure of Salmonella FraB Deglycase, Crystal Form 1
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 | 2020-08-05 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97930 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.117, 115.769, 108.306 |
| Unit cell angles | 90.00, 95.46, 90.00 |
Refinement procedure
| Resolution | 107.815 - 1.846 |
| Rwork | 0.186 |
| R-free | 0.23260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.943 |
| Data reduction software | XDS (Jan 26, 2018 (BUILT 20180808)) |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 107.815 | 1.963 |
| High resolution limit [Å] | 1.846 | 1.846 |
| Rmerge | 0.046 | 0.724 |
| Rpim | 0.040 | 0.515 |
| Number of reflections | 98186 | 4910 |
| <I/σ(I)> | 13.4 | |
| Completeness [%] | 76.4 | |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 298 | 21.5% w/v PEG3350, 0.4 M sodium thiocyanate, 0.1 M HEPES, pH 6.3 |
