9JTT
Crystal Structure of Beta-glucosidase from the Indigo-producing Plant Polygonum tinctorium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-1A |
| Synchrotron site | Photon Factory |
| Beamline | BL-1A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-06-21 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.0180 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.435, 104.059, 99.474 |
| Unit cell angles | 90.00, 103.55, 90.00 |
Refinement procedure
| Resolution | 48.400 - 1.920 |
| R-factor | 0.21498 |
| Rwork | 0.213 |
| R-free | 0.25157 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AlphaFold |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.595 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.560 | 1.960 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmeas | 0.289 | 0.799 |
| Rpim | 0.151 | 0.411 |
| Number of reflections | 75966 | 4509 |
| <I/σ(I)> | 7.3 | 2.2 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 3.6 | 3.7 |
| CC(1/2) | 0.947 | 0.515 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 20% PEG MME 2000 0.1 M Tris pH8.5 0.2 M Trimethylamine N-Oxide Dihydrate |
