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 |