5XXL
Crystal structure of GH3 beta-glucosidase from Bacteroides thetaiotaomicron
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-11-09 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 81.940, 167.880, 224.090 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.940 - 1.600 |
| R-factor | 0.20538 |
| Rwork | 0.204 |
| R-free | 0.22738 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u4a |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.440 |
| Data reduction software | iMOSFLM |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.940 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.136 | |
| Number of reflections | 202194 | |
| <I/σ(I)> | 10 | |
| Completeness [%] | 99.9 | |
| Redundancy | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | PEG 3350 Sodium acetate |
