9LQL
Structure of STG-hydrolyzing beta-glucosidase 1 (PSTG1) complexed with heptyl 1-thio-beta-D-glucopyranoside
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL32XU |
| Synchrotron site | SPring-8 |
| Beamline | BL32XU |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2024-07-03 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 64.600, 112.040, 156.590 |
| Unit cell angles | 71.50, 82.83, 79.85 |
Refinement procedure
| Resolution | 45.850 - 3.350 |
| R-factor | 0.2467 |
| Rwork | 0.245 |
| R-free | 0.28650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.439 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.550 |
| High resolution limit [Å] | 3.350 | 3.350 |
| Rmeas | 0.516 | |
| Number of reflections | 57769 | 9137 |
| <I/σ(I)> | 3.1 | 1.51 |
| Completeness [%] | 98.1 | 97 |
| Redundancy | 4.7 | 4.2 |
| CC(1/2) | 0.781 | 0.516 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | PEG 3000, imidazole, lithium sulfate |
