9UPT
Structure of AtBgl1A, a GH1 beta-Glucosidase from Acetivibrio thermocellus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 05A |
| Synchrotron site | NSRRC |
| Beamline | TPS 05A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-11-13 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1 |
| Spacegroup name | P 6 |
| Unit cell lengths | 158.270, 158.270, 53.962 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 79.260 - 2.369 |
| Rwork | 0.173 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ogz |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.787 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.260 | 2.460 |
| High resolution limit [Å] | 2.369 | 2.370 |
| Number of reflections | 31219 | 3319 |
| <I/σ(I)> | 10.9 | |
| Completeness [%] | 98.3 | 100 |
| Redundancy | 1.9 | |
| CC(1/2) | 0.999 | 0.799 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 277.15 | 0.1 M HEPES pH 7.2, 10% 2-propanol, 20% PEG 4000 |
