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) |