3EDD
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 |
| Collection date | 2004-03-12 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9787 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 183.758, 183.758, 233.272 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.610 - 2.650 |
| R-factor | 0.223 |
| Rwork | 0.220 |
| R-free | 0.26700 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.902 |
| 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 | 2.750 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.118 | 0.118 |
| Number of reflections | 44034 | |
| <I/σ(I)> | 16.1 | |
| Completeness [%] | 87.9 | 87.9 |
| Redundancy | 7 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1M HEPES, 3.8M NaCl, 3mM CaCl2, pH7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
