8CB6
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in covalent complex with TAMRA tagged 1,6-Epi-cylcophellitol aziridine activity based probe
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 | 2021-09-15 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.980112 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 97.340, 102.945, 129.916 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.670 - 1.900 |
| R-factor | 0.15015 |
| Rwork | 0.149 |
| R-free | 0.17786 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5nn3 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.572 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (7.1.015) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.670 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.130 | 1.675 |
| Rmeas | 0.135 | 1.739 |
| Rpim | 0.036 | 0.465 |
| Total number of observations | 1418173 | 70368 |
| Number of reflections | 103337 | 5053 |
| <I/σ(I)> | 14.5 | 1.9 |
| Completeness [%] | 100.0 | |
| Redundancy | 13.7 | 13.9 |
| CC(1/2) | 0.999 | 0.695 |
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 |
