8XXA
Rhodothermus marinus alpha-amylase RmGH13_47A CBM48-A-B-C domains in complex with branched pentasaccharide
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 | PIXEL |
| Collection date | 2021-12-06 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.508, 61.051, 99.808 |
| Unit cell angles | 90.00, 106.11, 90.00 |
Refinement procedure
| Resolution | 47.940 - 1.550 |
| R-factor | 0.17433 |
| Rwork | 0.174 |
| R-free | 0.18860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.553 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.900 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.049 | 0.400 |
| Rpim | 0.032 | 0.258 |
| Number of reflections | 106919 | 5315 |
| <I/σ(I)> | 13.1 | 2.6 |
| Completeness [%] | 98.8 | 99.6 |
| Redundancy | 3.3 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | MES buffer, PEG 20000, PEG 4000, PEG 3350, sodium iodide |
