5E1U
Crystal structure of IrCp*-apo-Fr
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.10461 |
| Spacegroup name | F 4 3 2 |
| Unit cell lengths | 181.035, 181.035, 181.035 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.130 - 1.560 |
| R-factor | 0.16889 |
| Rwork | 0.168 |
| R-free | 0.18769 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dat |
| RMSD bond length | 0.029 |
| RMSD bond angle | 3.049 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.590 |
| High resolution limit [Å] | 1.560 | 1.560 |
| Rmerge | 0.301 | |
| Number of reflections | 36642 | |
| <I/σ(I)> | 67.5 | 10.6 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 11 | 11 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | Ammonium sulphate, Cadmium Sulphate |
