6HZY
Crystal structure of a bacterial fucosidase with inhibitor FucPUG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.976250 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 104.925, 84.602, 121.737 |
| Unit cell angles | 90.00, 109.00, 90.00 |
Refinement procedure
| Resolution | 49.650 - 1.700 |
| R-factor | 0.21006 |
| Rwork | 0.208 |
| R-free | 0.25393 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pee |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.600 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.610 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.053 | 0.347 |
| Rpim | 0.030 | 0.197 |
| Number of reflections | 109676 | 5379 |
| <I/σ(I)> | 11.7 | 2.7 |
| Completeness [%] | 99.3 | 98.4 |
| Redundancy | 4.2 | 4 |
| CC(1/2) | 0.997 | 0.952 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Imidazole pH 7.0 0.125 Ammonium Sulfate 16% PEG3350 |
