9GTL
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with iminosugar compound 4j
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 | 2020-07-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.978565 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 94.315, 102.670, 126.808 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.200 - 2.000 |
| R-factor | 0.16914 |
| Rwork | 0.168 |
| R-free | 0.19975 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.319 |
| 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] | 47.580 | 2.040 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.143 | 2.436 |
| Rmeas | 0.149 | 2.527 |
| Rpim | 0.040 | 0.669 |
| Total number of observations | 1148153 | 64160 |
| Number of reflections | 83802 | 4536 |
| <I/σ(I)> | 12.2 | 1.3 |
| Completeness [%] | 100.0 | |
| Redundancy | 13.7 | 14.1 |
| CC(1/2) | 0.999 | 0.505 |
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 |
