8J52
Crystal structure of Flavihumibacter petaseus GH31 alpha-galactosidase mutant D304A in complex with alpha-1,4-galactobiose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-10 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 71.499, 72.543, 81.202 |
| Unit cell angles | 101.92, 104.40, 103.71 |
Refinement procedure
| Resolution | 46.044 - 1.900 |
| Rwork | 0.136 |
| R-free | 0.19220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.623 |
| 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] | 46.044 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.071 | 0.591 |
| Rmeas | 0.101 | 0.699 |
| Rpim | 0.071 | 0.494 |
| Number of reflections | 113161 | 5559 |
| <I/σ(I)> | 7.8 | 1.6 |
| Completeness [%] | 97.4 | |
| Redundancy | 3.5 | |
| CC(1/2) | 0.997 | 0.769 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 1 M sodium chloride, 50 mM MES-NaOH, pH 6.0 |
