1I75
CRYSTAL STRUCTURE OF CYCLODEXTRIN GLUCANOTRANSFERASE FROM ALKALOPHILIC BACILLUS SP.#1011 COMPLEXED WITH 1-DEOXYNOJIRIMYCIN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR571 |
| Temperature [K] | 286 |
| Detector technology | DIFFRACTOMETER |
| Collection date | 1997-12-20 |
| Detector | ENRAF-NONIUS FAST |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 64.780, 74.240, 79.030 |
| Unit cell angles | 85.03, 104.88, 101.02 |
Refinement procedure
| Resolution | 10.000 - 2.000 |
| Rwork | 0.154 |
| R-free | 0.21400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pam |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.700 |
| Data reduction software | MERGEF |
| Data scaling software | MERGEF |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.890 | 1.870 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.076 | 0.206 |
| Number of reflections | 106410 | |
| Completeness [%] | 81.7 | |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | PEG3000, 2-Propanol, sodium citrate, calcium chloride, 1-deoxynojirimycin, 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 | 20 (mg/ml) | |
| 2 | 1 | drop | 1-deoxynojirimycin | 10 (mM) | |
| 3 | 1 | reservoir | PEG3000 | 20 (%(w/v)) | |
| 4 | 1 | reservoir | 2-propanol | 20 (%(v/v)) | |
| 5 | 1 | reservoir | sodium citrate | 100 (mM) | |
| 6 | 1 | reservoir | calcium chloride | 0.5 (mM) |
