3A8E
The structure of AxCesD octamer complexed with cellopentaose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-07-11 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 132.877, 132.877, 216.667 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.940 - 3.000 |
| R-factor | 0.24677 |
| Rwork | 0.242 |
| R-free | 0.29259 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2Z9F |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.469 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.088 | 0.399 |
| Number of reflections | 19771 | |
| <I/σ(I)> | 24.067 | 3.41 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 10 | 9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 293 | 0.1M PHOSPHATE-CITRATE, 0.2M LI2SO4, 10% (V/V) ISO-PROPANOL, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
