9J4B
Crystal structure of thio-glucose complexed GH1 beta-glucosidase (UnBGl1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2021-08-24 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.150, 65.710, 137.660 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.730 - 1.730 |
| R-factor | 0.14862 |
| Rwork | 0.147 |
| R-free | 0.18065 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.881 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.830 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Number of reflections | 49212 | 14085 |
| <I/σ(I)> | 26.38 | 7.32 |
| Completeness [%] | 99.4 | 97.3 |
| Redundancy | 3.49 | |
| CC(1/2) | 0.999 | 0.968 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 295 | 0.056M Sodium phosphate monobasic monohydrate, 1.344M Potassium phosphate dibasic, pH 8.2 |
