6F90
Structure of the family GH92 alpha-mannosidase BT3130 from Bacteroides thetaiotaomicron in complex with Mannoimidazole (ManI)
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 | 2014-10-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 273.666, 273.666, 189.759 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.380 - 2.400 |
| R-factor | 0.20895 |
| Rwork | 0.207 |
| R-free | 0.24227 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wvy |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.267 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.380 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.195 | 2.480 |
| Rmeas | 0.203 | 2.580 |
| Rpim | 0.056 | 0.702 |
| Number of reflections | 160656 | 7817 |
| <I/σ(I)> | 18.4 | 1.9 |
| Completeness [%] | 99.5 | 99.2 |
| Redundancy | 25.1 | 25.9 |
| CC(1/2) | 0.999 | 0.661 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 292 | 18% (w/v) PEG 3350, 0.1 M Bis-Tris propane, pH 6.4, 0.2 M NaBr |
