9GTD
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with iminosugar compound 4i
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-08 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.976254 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 97.415, 102.936, 129.673 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.880 - 2.250 |
| R-factor | 0.17475 |
| Rwork | 0.172 |
| R-free | 0.22009 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.619 |
| 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] | 47.880 | 2.310 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.326 | 1.769 |
| Rmeas | 0.348 | 1.898 |
| Rpim | 0.122 | 0.680 |
| Number of reflections | 62358 | 4362 |
| <I/σ(I)> | 5.3 | 1.1 |
| Completeness [%] | 99.7 | |
| Redundancy | 7.9 | 7.5 |
| CC(1/2) | 0.983 | 0.507 |
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 |
