9GTN
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with iminosugar compound 4k
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-14 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.978566 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 96.677, 102.385, 128.063 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.380 - 1.800 |
| R-factor | 0.15322 |
| Rwork | 0.152 |
| R-free | 0.17689 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.478 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.340 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.055 | 1.169 |
| Rmeas | 0.059 | 1.252 |
| Rpim | 0.021 | 0.443 |
| Total number of observations | 895802 | 45298 |
| Number of reflections | 117881 | 5783 |
| <I/σ(I)> | 19.2 | 1.7 |
| Completeness [%] | 99.9 | |
| Redundancy | 7.6 | 7.8 |
| CC(1/2) | 1.000 | 0.654 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 1.9 M AMMONIUM SULPHATE, 0.1 M HEPES, 2% V/V PEG400, PH 7 |
