8K7D
Crystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3R,4S,5R)-2-(aminomethyl)-5-(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 MX300-HS |
Wavelength(s) | 1.0 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 90.571, 90.571, 216.659 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.230 - 2.610 |
R-factor | 0.1743 |
Rwork | 0.172 |
R-free | 0.20920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1r47 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.730 |
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 | 2.700 |
High resolution limit [Å] | 2.610 | 2.610 |
Rmerge | 0.100 | 0.700 |
Number of reflections | 31820 | 3102 |
<I/σ(I)> | 13.5 | |
Completeness [%] | 99.0 | |
Redundancy | 5 |
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 |