5OSS
Beta-glucosidase from Thermotoga maritima in complex with Gluco-1H-imidazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97624 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 94.316, 94.616, 113.443 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 72.770 - 1.700 |
| R-factor | 0.18804 |
| Rwork | 0.186 |
| R-free | 0.22157 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1OD0.PDB |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.772 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.770 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 2.812 | |
| Rpim | 0.831 | |
| Number of reflections | 112065 | 5461 |
| <I/σ(I)> | 13.8 | |
| Completeness [%] | 100.0 | 99.8 |
| Redundancy | 12.6 | 12.9 |
| CC(1/2) | 0.610 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | PEG 4000, imidazole, calcium acetate, trimethylamine oxide |
