8K7L
Crystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3R,4S,5R)-2-(aminomethyl)-5-(hydroxymethyl)-1-methylpyrrolidine-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 | 90.104, 90.104, 215.855 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.490 - 2.000 |
R-factor | 0.1583 |
Rwork | 0.157 |
R-free | 0.18620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1r47 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.806 |
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 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.118 | 0.420 |
Number of reflections | 67902 | 5624 |
<I/σ(I)> | 20.3 | |
Completeness [%] | 98.0 | |
Redundancy | 10.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 100 mM Tris-HCl buffer 7.2, 25% PEG4000 and 200 mM ammonium sulfate |