6F92
Structure of the family GH92 alpha-mannosidase BT3965 from Bacteroides thetaiotaomicron in complex with Mannoimidazole (ManI)
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 | 2014-03-11 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.507, 186.904, 95.050 |
| Unit cell angles | 90.00, 91.74, 90.00 |
Refinement procedure
| Resolution | 46.730 - 1.900 |
| R-factor | 0.17829 |
| Rwork | 0.177 |
| R-free | 0.20766 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wvy |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.420 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.730 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.155 | 0.941 |
| Rmeas | 0.203 | 1.229 |
| Rpim | 0.129 | 0.785 |
| Number of reflections | 216402 | 10727 |
| <I/σ(I)> | 7.1 | 1.4 |
| Completeness [%] | 96.1 | 96.4 |
| Redundancy | 4.4 | 4.3 |
| CC(1/2) | 0.989 | 0.506 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 292 | 20% w/v PEG 3350, 0.2 M NaNO3 |
