3U95
Crystal structure of a putative alpha-glucosidase from Thermotoga neapolitana
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL44B2 |
| Temperature [K] | 173 |
| Detector technology | CCD |
| Collection date | 2011-07-01 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9000 |
| Spacegroup name | P 31 |
| Unit cell lengths | 154.532, 154.532, 139.065 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.904 - 1.998 |
| R-factor | 0.1854 |
| Rwork | 0.185 |
| R-free | 0.22150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.030 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 1.998 | 2.000 |
| Rmerge | 0.100 | 0.346 |
| Number of reflections | 246434 | |
| <I/σ(I)> | 25.98 | 3.66 |
| Completeness [%] | 99.0 | 97.7 |
| Redundancy | 6.9 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 287 | 0.1M ethanolamine, 2% 1,4-dioxane, 8% PEG 20000, 1mM DTT, 1mM MnCl2, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 287K |
