6FWI
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-mannosamine)
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 | 2014-10-23 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.92 |
| Spacegroup name | I 4 |
| Unit cell lengths | 108.459, 108.459, 68.034 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 76.690 - 1.250 |
| R-factor | 0.12667 |
| Rwork | 0.126 |
| R-free | 0.14686 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ad4 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.424 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.12) |
| Phasing software | REFMAC (5.8.0124) |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.690 | 1.270 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.059 | 1.664 |
| Rmeas | 0.063 | 1.786 |
| Rpim | 0.022 | 0.643 |
| Number of reflections | 108088 | 5365 |
| <I/σ(I)> | 17.4 | 1.3 |
| Completeness [%] | 99.4 | 100 |
| Redundancy | 8.2 | 7.6 |
| CC(1/2) | 0.998 | 0.462 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 292 | 3 M sodium acetate, pH 7.0 |
