2DS2
Crystal structure of mabinlin II
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 83 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-04-25 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 80.110, 51.080, 47.340 |
| Unit cell angles | 90.00, 122.77, 90.00 |
Refinement procedure
| Resolution | 20.350 - 1.700 |
| R-factor | 0.221 |
| Rwork | 0.221 |
| R-free | 0.25400 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| Data reduction software | CrystalClear |
| Data scaling software | SCALA |
| Phasing software | SHARP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.500 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.053 | 0.266 |
| Number of reflections | 17686 | |
| <I/σ(I)> | 6 | 2.6 |
| Completeness [%] | 99.5 | 100 |
| Redundancy | 3.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 310 | SODIUM MALONATE, SODIUM ACETATE , pH 4.60, VAPOR DIFFUSION, HANGING DROP, temperature 310K |
