6IBM
Crystal structure of human alpha-galactosidase A in complex with alpha-galactose configured cyclosulfate ME776
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 | 2018-02-25 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97951 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 90.340, 90.340, 216.000 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 78.360 - 2.070 |
| R-factor | 0.18298 |
| Rwork | 0.180 |
| R-free | 0.24160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r46 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.568 |
| 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] | 78.360 | 2.120 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rmerge | 0.124 | |
| Rpim | 0.052 | |
| Number of reflections | 63220 | 54492 |
| <I/σ(I)> | 9.8 | 1 |
| Completeness [%] | 100.0 | |
| Redundancy | 12.2 | |
| CC(1/2) | 0.998 | 0.745 |
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 |
