8K7G
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 | 90.642, 90.642, 216.110 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.670 - 2.320 |
R-factor | 0.1684 |
Rwork | 0.166 |
R-free | 0.21730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1r47 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.937 |
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 | 2.400 |
High resolution limit [Å] | 2.320 | 2.320 |
Rmerge | 0.123 | 0.594 |
Number of reflections | 45211 | 4380 |
<I/σ(I)> | 14.1 | |
Completeness [%] | 99.9 | |
Redundancy | 6.6 |
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 |