4XPS
Crystal structure of the mutant D365A of Pedobacter saltans GH31 alpha-galactosidase complexed with p-nitrophenyl-alpha-galactopyranoside
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-11-14 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 111.954, 111.954, 113.991 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| R-factor | 0.19963 |
| Rwork | 0.197 |
| R-free | 0.24906 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xpo |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.438 |
| 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 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.091 | 0.576 |
| Number of reflections | 42959 | |
| <I/σ(I)> | 24.1 | 3.4 |
| Completeness [%] | 99.3 | 100 |
| Redundancy | 9.7 | 8.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 20% PEG MME 2000, 100 mM HEPES-NaOH, soaked with 20 mM pNP-alpha-galactopyranoside |
