6GVD
Alpha-galactosidase from Thermotoga maritima in complex with cyclohexene-based carbasugar mimic of galactose
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 6M-F |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.957, 96.135, 97.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 68.590 - 1.220 |
| R-factor | 0.15097 |
| Rwork | 0.149 |
| R-free | 0.18789 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5m0x |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.288 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.590 | 1.250 |
| High resolution limit [Å] | 1.220 | 1.220 |
| Rmerge | 0.064 | 0.800 |
| Rpim | 0.029 | 0.506 |
| Number of reflections | 185329 | 12780 |
| <I/σ(I)> | 10.8 | 2.2 |
| Completeness [%] | 98.8 | 93.5 |
| Redundancy | 5.7 | 3.9 |
| CC(1/2) | 0.996 | 0.497 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M MgSO4, 20% (w/v) poly(ethylene glycol) (PEG) 3350 |
