4UFI
Mouse Galactocerebrosidase complexed with aza-galacto-fagomine AGF
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 | 2014-02-28 |
| Detector | DECTRIS PILATUS 2M |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 249.820, 249.820, 77.780 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 62.455 - 2.400 |
| R-factor | 0.1609 |
| Rwork | 0.159 |
| R-free | 0.20080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zr5 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.020 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.500 | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.140 | 1.500 |
| Number of reflections | 36134 | |
| <I/σ(I)> | 13.2 | 1.7 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 10.5 | 10.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.8 | 0.2 M SODIUM ACETATE, 0.1 M SODIUM CACODYLATE (PH 6.8), 34% PEG 8000 |
