4FNU
Crystal structure of GH36 alpha-galactosidase AgaA A355E D478A from Geobacillus stearothermophilus in complex with stachyose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-02-05 |
| Detector | PSI PILATUS 6M |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 154.070, 154.070, 238.020 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.922 - 3.600 |
| R-factor | 0.24 |
| Rwork | 0.238 |
| R-free | 0.28220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.732 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.690 |
| High resolution limit [Å] | 3.600 | 3.600 |
| Rmerge | 0.450 | |
| Number of reflections | 38121 | |
| <I/σ(I)> | 18.48 | 3.5 |
| Completeness [%] | 99.0 | 99.9 |
| Redundancy | 5.5 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 292 | 12% polyethylene glycol 4000, 0.1M Tris, 0.02M stachyose, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
