6HMH
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-glucosamine) 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 | 2016-02-19 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.979 |
| Spacegroup name | I 4 |
| Unit cell lengths | 108.175, 108.175, 67.575 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.310 - 1.030 |
| R-factor | 0.12484 |
| Rwork | 0.124 |
| R-free | 0.13935 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5m17 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.609 |
| Data reduction software | DIALS (1.0-41-g27d87d8) |
| Data scaling software | Aimless (0.5.21) |
| Phasing software | REFMAC (5.8.0158) |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.310 | 1.050 |
| High resolution limit [Å] | 1.030 | 1.030 |
| Rmerge | 0.058 | 1.238 |
| Rmeas | 0.065 | 1.423 |
| Rpim | 0.028 | 0.679 |
| Number of reflections | 187832 | 7136 |
| <I/σ(I)> | 12.4 | 1 |
| Completeness [%] | 98.0 | 75.8 |
| Redundancy | 6.1 | 3.8 |
| CC(1/2) | 0.988 | 0.409 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 292 | 3 M sodium acetate, pH 7.4 |
