6GX8
Alpha-galactosidase from Thermotoga maritima in complex with hydrolysed cyclohexene-based carbasugar mimic of galactose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2017-06-28 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 95.817, 97.506, 67.419 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 68.440 - 1.420 |
| R-factor | 0.17571 |
| Rwork | 0.174 |
| R-free | 0.20158 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5m0x |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.266 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 97.510 | 1.460 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Rmerge | 0.055 | 0.948 |
| Rpim | 0.039 | 0.742 |
| Number of reflections | 117828 | 8273 |
| <I/σ(I)> | 10.7 | 1.5 |
| Completeness [%] | 98.7 | 93.9 |
| Redundancy | 4.9 | 3.6 |
| CC(1/2) | 0.999 | 0.493 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M magnesium sulfate, 20% (w/v) PEG 3350 |
