6FWL
Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex alpha-Glc-1,3-(1,2-anhydro-carba-mannose)
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) | 0.9795 |
| Spacegroup name | I 4 |
| Unit cell lengths | 108.233, 108.233, 67.446 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 76.530 - 1.120 |
| R-factor | 0.12657 |
| Rwork | 0.126 |
| R-free | 0.14589 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5m17 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.557 |
| Data reduction software | DIALS (1.0-0-g66ac5d4) |
| Data scaling software | Aimless (0.5.21) |
| Phasing software | REFMAC (5.8.0135) |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.530 | 1.140 |
| High resolution limit [Å] | 1.120 | 1.120 |
| Rmerge | 0.063 | 1.387 |
| Rmeas | 0.069 | 1.528 |
| Rpim | 0.027 | 0.834 |
| Number of reflections | 149038 | 7376 |
| <I/σ(I)> | 9.8 | 1.1 |
| Completeness [%] | 100.0 | 99.2 |
| Redundancy | 6.4 | 5.7 |
| CC(1/2) | 0.999 | 0.450 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 292 | 3 M sodium acetate, pH 7.4 |
