9GTW
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with iminosugar compound 3g
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 | 96.952, 101.938, 128.658 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 77.550 - 1.750 |
| R-factor | 0.16527 |
| Rwork | 0.164 |
| R-free | 0.19210 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.409 |
| 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] | 101.940 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.176 | 1.261 |
| Rmeas | 0.192 | 1.375 |
| Rpim | 0.076 | 0.543 |
| Total number of observations | 801670 | 39750 |
| Number of reflections | 128798 | 6288 |
| <I/σ(I)> | 5.6 | 1.1 |
| Completeness [%] | 100.0 | |
| Redundancy | 6.2 | 6.3 |
| CC(1/2) | 0.992 | 0.517 |
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 |
