5F53
Nano-ring of cadmium ions coordinated by nvPizza2-S16S58
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-05-14 |
| Detector | RIGAKU SATURN A200 |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 41 3 2 |
| Unit cell lengths | 110.320, 110.320, 110.320 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.000 - 1.800 |
| R-factor | 0.18707 |
| Rwork | 0.186 |
| R-free | 0.20965 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.107 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.096 | 0.485 |
| Number of reflections | 10953 | |
| <I/σ(I)> | 34.4 | 3.1 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 27.2 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.18 M magnesium chloride, 90 mM HEPES, 27% PEG 400, 10% glycerol, 30 mM cadmium chloride |
