6IBT
Crystal structure of human alpha-galactosidase A in complex with alpha-galactose configured cyclophellitol aziridine ME737
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 | 2018-04-15 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.915870 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 90.390, 90.390, 216.590 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 63.520 - 2.040 |
| R-factor | 0.19811 |
| Rwork | 0.195 |
| R-free | 0.26001 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r46 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.530 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.520 | 2.090 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rpim | 0.068 | |
| Number of reflections | 66254 | 52274 |
| <I/σ(I)> | 5.6 | 0.8 |
| Completeness [%] | 100.0 | |
| Redundancy | 12.3 | |
| CC(1/2) | 0.986 | 0.810 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG 4000 (50%), sodium acetate (pH 4.6) and lithium sulfate |
