6IBK
Crystal structure of human alpha-galactosidase A in complex with alpha-galactose configured cyclosulfamidate ME763
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 | 2018-03-10 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 90.570, 90.570, 216.460 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 63.590 - 1.990 |
| R-factor | 0.18757 |
| Rwork | 0.185 |
| R-free | 0.24394 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r46 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.582 |
| 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] | 63.590 | 2.030 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.109 | |
| Rpim | 0.032 | 0.987 |
| Number of reflections | 71557 | |
| <I/σ(I)> | 11.5 | |
| Completeness [%] | 100.0 | |
| Redundancy | 12.2 | |
| CC(1/2) | 0.999 | 0.732 |
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, |
