7WJC
Crystal structure of Lactococcus lactis subsp. cremoris GH31 alpha-1,3-glucosidase mutant D394A in complex with nigerose
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 | 2021-06-05 |
| Detector | DECTRIS PILATUS3 S 2M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 151.370, 151.370, 177.235 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.763 - 1.750 |
| Rwork | 0.166 |
| R-free | 0.19040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7wja |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.613 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.840 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.067 | 1.191 |
| Number of reflections | 120135 | 17323 |
| <I/σ(I)> | 30.4 | 2.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 19.8 | 20 |
| CC(1/2) | 1.000 | 0.869 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 13% PEG 3350, 400 mM ammonium citrate buffer (pH 7.0), 10 mM nigerose |
