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 |