8K7F
Crystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3S,4R,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 05A |
| Synchrotron site | NSRRC |
| Beamline | TPS 05A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2022-03-25 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 90.605, 90.605, 216.663 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.660 - 1.980 |
| R-factor | 0.1564 |
| Rwork | 0.155 |
| R-free | 0.19070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r47 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.927 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.040 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.073 | 0.719 |
| Number of reflections | 72505 | 7020 |
| <I/σ(I)> | 32.3 | |
| Completeness [%] | 99.8 | |
| Redundancy | 10.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 100 mM NaOAc pH 4.5, 25% PEG4000 and 200 mM ammonium sulfate |
