6IBK
Crystal structure of human alpha-galactosidase A in complex with alpha-galactose configured cyclosulfamidate ME763
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-03-10 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 90.570, 90.570, 216.460 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 63.590 - 1.990 |
R-factor | 0.18757 |
Rwork | 0.185 |
R-free | 0.24394 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1r46 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.582 |
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] | 63.590 | 2.030 |
High resolution limit [Å] | 1.990 | 1.990 |
Rmerge | 0.109 | |
Rpim | 0.032 | 0.987 |
Number of reflections | 71557 | |
<I/σ(I)> | 11.5 | |
Completeness [%] | 100.0 | |
Redundancy | 12.2 | |
CC(1/2) | 0.999 | 0.732 |
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, |