6MOZ
Structure of acid-beta-glucosidase in complex with an aromatic pyrrolidine iminosugar inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2018-02-21 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 110.280, 285.010, 91.680 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.800 - 2.100 |
R-factor | 0.2005 |
Rwork | 0.200 |
R-free | 0.22780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2nsx |
RMSD bond length | 0.007 |
RMSD bond angle | 0.861 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX ((1.11.1_2575)) |
Refinement software | PHENIX ((1.11.1_2575)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.800 | 2.120 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.109 | 0.615 |
Rmeas | 0.113 | 0.638 |
Rpim | 0.030 | 0.169 |
Number of reflections | 84382 | |
<I/σ(I)> | 15.4 | |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 13.8 | 14.2 |
CC(1/2) | 0.999 | 0.970 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | HEPES pH 7.5, monobasic sodium phosphate and monobasic potassium phosphate |