5M1I
Structure of GH36 alpha-galactosidase from Thermotoga maritima in a covalent complex with a cyclopropyl carbasugar.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2015-10-09 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.903, 96.239, 97.589 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 68.520 - 1.550 |
| R-factor | 0.155 |
| Rwork | 0.154 |
| R-free | 0.18251 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5m0x |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.680 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.520 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.068 | 0.864 |
| Number of reflections | 92049 | |
| <I/σ(I)> | 12.6 | 2 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 6.5 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M ammonium sulfate, 0.13 M ammonium citrate Protein was incubated with inhibitor at 333 K for 16 hours prior to crystallisation |
