9GTC
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with iminosugar compound 4g
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-07-27 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.980114 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 97.181, 102.652, 129.777 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.640 - 2.580 |
| R-factor | 0.17253 |
| Rwork | 0.170 |
| R-free | 0.21472 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.901 |
| 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] | 48.640 | 2.690 |
| High resolution limit [Å] | 2.580 | 2.580 |
| Rmerge | 0.202 | 1.091 |
| Rmeas | 0.213 | 1.155 |
| Rpim | 0.069 | 0.374 |
| Number of reflections | 41193 | 4245 |
| <I/σ(I)> | 10.2 | 2.1 |
| Completeness [%] | 99.1 | |
| Redundancy | 9.4 | 9.1 |
| CC(1/2) | 0.993 | 0.706 |
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 |
