5M3W
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-1,2-dideoxymannose 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 | 2015-05-23 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.979 |
| Spacegroup name | I 4 |
| Unit cell lengths | 108.400, 108.400, 67.587 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 76.650 - 1.040 |
| R-factor | 0.11934 |
| Rwork | 0.119 |
| R-free | 0.13299 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | modified 4UTF |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.609 |
| Data reduction software | DIALS (1.1.2-g01de26e-release) |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | REFMAC (5.8.0155) |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.650 | 1.060 |
| High resolution limit [Å] | 1.040 | 1.040 |
| Rmerge | 0.052 | 1.063 |
| Number of reflections | 184688 | |
| <I/σ(I)> | 13 | 1 |
| Completeness [%] | 99.0 | 87.3 |
| Redundancy | 6 | 3.5 |
| CC(1/2) | 0.994 | 0.427 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 292 | 3 M sodium acetate, pH 7.0 |
