6FAM
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-2-aminodeoxymannojirimycin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | I 4 |
| Unit cell lengths | 108.101, 108.101, 67.507 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 76.440 - 1.130 |
| R-factor | 0.12332 |
| Rwork | 0.122 |
| R-free | 0.14411 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5m17 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.495 |
| Data reduction software | DIALS (1.6.3-g2108d754-release) |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | REFMAC (5.8.0158) |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.440 | 1.150 |
| High resolution limit [Å] | 1.130 | 1.130 |
| Rmerge | 0.069 | 1.501 |
| Rmeas | 0.075 | 1.682 |
| Rpim | 0.026 | 0.735 |
| Number of reflections | 143559 | 6120 |
| <I/σ(I)> | 10.2 | 1 |
| Completeness [%] | 99.1 | 86 |
| Redundancy | 7.5 | 4.8 |
| CC(1/2) | 0.999 | 0.400 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 292 | 3M sodium acetate, pH 7.4 |
