6FWP
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-1,3-mannobiose and alpha-1,2-mannobiose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-19 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9282 |
| Spacegroup name | I 4 |
| Unit cell lengths | 108.942, 108.942, 68.525 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 77.030 - 1.080 |
| R-factor | 0.12666 |
| Rwork | 0.126 |
| R-free | 0.13716 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5m17 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.411 |
| Data reduction software | DIALS (1.2.4-g5a91691-release) |
| Data scaling software | Aimless (0.5.26) |
| Phasing software | REFMAC (5.8.0151) |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 77.030 | 1.100 |
| High resolution limit [Å] | 1.080 | 1.080 |
| Rmerge | 0.059 | 1.455 |
| Rmeas | 0.064 | 1.625 |
| Rpim | 0.025 | 0.710 |
| Number of reflections | 170777 | 8370 |
| <I/σ(I)> | 10.1 | 1 |
| Completeness [%] | 99.9 | 99.2 |
| Redundancy | 6.3 | 5.1 |
| CC(1/2) | 0.999 | 0.407 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 292 | 3 M sodium acetate, pH 7.4 |
