6FWJ
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-mannosamine) and alpha-1,2-mannobiose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-01-25 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | I 4 |
| Unit cell lengths | 108.636, 108.636, 67.643 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 76.820 - 1.040 |
| R-factor | 0.12856 |
| Rwork | 0.128 |
| R-free | 0.14653 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5m17 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.772 |
| Data reduction software | DIALS (1.0-0-g66ac5d4) |
| Data scaling software | Aimless (0.5.21) |
| Phasing software | REFMAC (5.8.0124) |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.820 | 1.060 |
| High resolution limit [Å] | 1.040 | 1.040 |
| Rmerge | 0.075 | 1.346 |
| Rmeas | 0.081 | 1.482 |
| Rpim | 0.042 | 0.601 |
| Number of reflections | 185423 | 7436 |
| <I/σ(I)> | 9.5 | 0.8 |
| Completeness [%] | 98.8 | 80.4 |
| Redundancy | 7.5 | 5.5 |
| CC(1/2) | 0.993 | 0.455 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 292 | 3 M sodium acetate, pH 6.4 - 7.4 |
