9URG
Crystal structure of beta-glucosidase from Bacteroides ovatus bound to beta-D-Glucose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | RRCAT INDUS-2 BEAMLINE PX-BL21 |
| Synchrotron site | RRCAT INDUS-2 |
| Beamline | PX-BL21 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2025-02-07 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.978930 |
| Spacegroup name | P 1 |
| Unit cell lengths | 68.833, 74.965, 87.009 |
| Unit cell angles | 72.86, 67.76, 64.84 |
Refinement procedure
| Resolution | 38.670 - 1.950 |
| R-factor | 0.2036 |
| Rwork | 0.202 |
| R-free | 0.23660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.699 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.610 | 1.950 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.155 | 0.676 |
| Rmeas | 0.172 | 0.745 |
| Rpim | 0.073 | 0.313 |
| Number of reflections | 102129 | 5043 |
| <I/σ(I)> | 9.7 | 2.6 |
| Completeness [%] | 97.3 | 96.3 |
| Redundancy | 5.6 | 5.6 |
| CC(1/2) | 0.983 | 0.802 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 9.5 | 294 | 0.1 M CHES buffer, pH 9.5, 30% PEG8000 Full-grown soaked in crystallization drop containing approx 0.1 M Dextrose for 30 min |
