4XPQ
Crystal structure of Pedobacter saltans GH31 alpha-galactosidase complexed with L-fucose
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 | CCD |
| Collection date | 2014-06-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 112.004, 112.004, 114.418 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.020 - 1.850 |
| R-factor | 0.14203 |
| Rwork | 0.141 |
| R-free | 0.16829 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xpo |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.360 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.086 | 0.589 |
| Number of reflections | 62800 | |
| <I/σ(I)> | 31.7 | 4.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.7 | 12.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 20% PEG MME 2000, 100 mM Tris-HCl, soaked with 500 mM L-fucose |
