5XXN
Crystal Structure of mutant (D286N) beta-glucosidase from Bacteroides thetaiotaomicron in complex with sophorose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-06-02 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 81.977, 167.909, 225.061 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.740 - 2.050 |
| R-factor | 0.1805 |
| Rwork | 0.178 |
| R-free | 0.21944 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5xxl |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.458 |
| Data reduction software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.159 | |
| Number of reflections | 94130 | |
| <I/σ(I)> | 11.7 | |
| Completeness [%] | 96.4 | |
| Redundancy | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | PEG 3350 Sodium acetate |
