1DED
CRYSTAL STRUCTURE OF ALKALOPHILIC ASPARAGINE 233-REPLACED CYCLODEXTRIN GLUCANOTRANSFERASE COMPLEXED WITH AN INHIBITOR, ACARBOSE, AT 2.0 A RESOLUTION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR571 |
| Temperature [K] | 286 |
| Detector technology | DIFFRACTOMETER |
| Detector | ENRAF-NONIUS FAST |
| Spacegroup name | P 1 |
| Unit cell lengths | 64.930, 73.830, 79.050 |
| Unit cell angles | 85.10, 105.40, 100.50 |
Refinement procedure
| Resolution | 10.000 - 2.000 |
| R-factor | 0.163 |
| Rwork | 0.163 |
| R-free | 0.22200 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 3.007 |
| Data reduction software | MADNESS |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.500 | 2.030 |
| High resolution limit [Å] | 1.900 | 2.000 |
| Rmerge | 0.088 | 0.160 |
| Number of reflections | 95583 | |
| Completeness [%] | 92.7 | 79.97 |
| Redundancy | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | PEG 3000, ISO-PROPANOL, SODIUM CITRATE, ACARBOSE, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | acarbose | 0.4 (mM) | |
| 3 | 1 | reservoir | sodium citrate | 100 (mM) | |
| 4 | 1 | reservoir | PEG3000 | 20 (%(w/v)) | |
| 5 | 1 | reservoir | isopropanol | 20 (%(v/v)) |
