5M12
Structure of GH36 alpha-galactosidase from Thermotoga maritima in complex with intact cyclopropyl-carbasugar.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2014-10-13 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.92000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.150, 96.040, 98.120 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.690 - 1.530 |
| R-factor | 0.19459 |
| Rwork | 0.193 |
| R-free | 0.22233 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5m0x |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.572 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.690 | 1.570 |
| High resolution limit [Å] | 1.530 | 1.530 |
| Rmerge | 0.035 | 0.675 |
| Number of reflections | 95993 | |
| <I/σ(I)> | 23.1 | 2.5 |
| Completeness [%] | 98.4 | 99.1 |
| Redundancy | 4.9 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M magnesium sulfate, 20% (w/v) PEG 3350 Crystal soaked in 1 mM inhibitor, 30% (w/v) PEG3350 for 16 hours prior to freezing. |
