5BX5
Crystal structure of Thermoanaerobacterium xylanolyticum GH116 beta-glucosidase with glucose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-04-21 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 177.825, 54.566, 83.213 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.850 |
| R-factor | 0.14867 |
| Rwork | 0.147 |
| R-free | 0.17799 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5bvu |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.377 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.078 | 0.453 |
| Number of reflections | 66687 | |
| <I/σ(I)> | 37.7 | 8.3 |
| Completeness [%] | 95.1 | 89.1 |
| Redundancy | 6.4 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 288 | 0.16 M Ammonium Sulfate, 24% PEG 4000, 0.1 M MES |
