7OP7
Bacteroides thetaiotaomicron mannosidase GH2 with beta-manno-configured N-alkyl cyclophellitol aziridine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-04-25 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.97629 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 90.761, 114.707, 98.639 |
| Unit cell angles | 90.00, 112.89, 90.00 |
Refinement procedure
| Resolution | 67.660 - 1.850 |
| R-factor | 0.1918 |
| Rwork | 0.189 |
| R-free | 0.24360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2JE8.pdb |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.881 |
| 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] | 67.660 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rpim | 0.053 | 1.004 |
| Number of reflections | 158303 | 7816 |
| <I/σ(I)> | 8.3 | 0.7 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 5.5 | |
| CC(1/2) | 0.997 | 0.500 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | PEG 3350, sodium bromide, MES buffer |
