3EDK
Structural base for cyclodextrin hydrolysis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MAR CCD 165 mm |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 106.137, 110.792, 106.398 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.710 - 1.770 |
| R-factor | 0.176 |
| Rwork | 0.175 |
| R-free | 0.20800 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.385 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.820 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Number of reflections | 122229 | |
| <I/σ(I)> | 4.8 | |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 5.5 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.75 | 293 | 0.1M Tris, 17% PEG1500, pH8.75, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
