3CGT
STRUCTURE OF CYCLODEXTRIN GLYCOSYLTRANSFERASE COMPLEXED WITH ITS MAIN PRODUCT BETA-CYCLODEXTRIN
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 298 |
| Detector technology | AREA DETECTOR |
| Collection date | 1996-05 |
| Detector | SIEMENS |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 94.500, 105.000, 113.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.400 |
| R-factor | 0.177 |
| Rwork | 0.177 |
| R-free | 0.22800 |
| Structure solution method | DIFFERENCE FOURIER |
| RMSD bond length | 0.010 |
| RMSD bond angle | 25.700 * |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.240 | 2.480 |
| High resolution limit [Å] | 2.350 | 2.410 |
| Rmerge | 0.096 * | 0.266 * |
| Total number of observations | 183009 * | |
| Number of reflections | 42278 | |
| <I/σ(I)> | 7.2 | 2.5 |
| Completeness [%] | 89.1 | 71.5 |
| Redundancy | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.7 * | pH 6.9 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 50 (%(v/v)) | |
| 2 | 1 | drop | CGTase | 7-15 (mg/ml) | |
| 3 | 1 | drop | triethanolamine-HCl/sodium-citrate | 50 (mM) | |
| 4 | 1 | drop | PEG1500 | 0.5 (%) | |
| 5 | 1 | reservoir | triethanolamine-HCl/sodium-citrate | 50 (mM) | |
| 6 | 1 | reservoir | PEG1500 | 0.5 (%) | |
| 7 | 1 | reservoir | ammonium sulfate | 0.9-1.0 (M) |
