7OP6
Bacteroides thetaiotaomicron mannosidase GH2 with beta-manno-configured cyclophellitol aziridine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-19 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 91.920, 116.858, 100.844 |
| Unit cell angles | 90.00, 114.15, 90.00 |
Refinement procedure
| Resolution | 92.190 - 2.050 |
| R-factor | 0.1877 |
| Rwork | 0.185 |
| R-free | 0.23330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2je8 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.578 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 92.190 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rpim | 0.049 | 0.522 |
| Number of reflections | 119933 | 5880 |
| <I/σ(I)> | 8.9 | |
| Completeness [%] | 98.6 | 97.9 |
| Redundancy | 4.1 | 4 |
| CC(1/2) | 0.997 | 0.535 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.7 | 291 | PEG 3350, sodium bromide, MES buffer |
