6HMG
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-glucosamine)
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 | 2015-08-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | I 4 |
| Unit cell lengths | 108.772, 108.772, 67.703 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.500 - 1.270 |
| R-factor | 0.13342 |
| Rwork | 0.132 |
| R-free | 0.15413 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5m17 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.585 |
| Data reduction software | XDS (November 3, 2014) |
| Data scaling software | Aimless (0.5.12) |
| Phasing software | REFMAC (5.8.0124) |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.500 | 1.290 |
| High resolution limit [Å] | 1.270 | 1.270 |
| Rmerge | 0.058 | 1.295 |
| Rmeas | 0.063 | 1.409 |
| Rpim | 0.024 | 0.550 |
| Number of reflections | 103773 | 5070 |
| <I/σ(I)> | 13.1 | 1.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.6 | 6.4 |
| CC(1/2) | 0.999 | 0.515 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 292 | 3 M sodium acetate pH 7.0 |
