6ZBX
Structure of the catalytic domain of the Bacillus circulans alpha-1,6 Mannanase in complex with an alpha-1,6- alpha-manno-cyclophellitol carbasugar-stabilised trisaccharide inhibitor
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 | 2020-02-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 |
| Unit cell lengths | 47.373, 51.087, 66.198 |
| Unit cell angles | 93.61, 92.36, 98.21 |
Refinement procedure
| Resolution | 50.490 - 1.350 |
| R-factor | 0.1355 |
| Rwork | 0.133 |
| R-free | 0.17800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4D4A.PDB |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.867 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.490 | 1.370 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rpim | 0.026 | 0.398 |
| Number of reflections | 127986 | 5907 |
| <I/σ(I)> | 14.1 | |
| Completeness [%] | 95.1 | 88.5 |
| Redundancy | 3.5 | 3 |
| CC(1/2) | 0.977 | 0.638 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | PEG 3350, ammonium nitrate |
