2ZG7
Crystal Structure of Pd(allyl)/apo-Fr
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-08-07 |
| Detector | RIGAKU RAXIS VII |
| Wavelength(s) | 1.5418 |
| Spacegroup name | F 4 3 2 |
| Unit cell lengths | 181.450, 181.450, 181.450 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.010 - 1.700 |
| R-factor | 0.17706 |
| Rwork | 0.176 |
| R-free | 0.20233 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dat |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.161 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.062 | 0.280 |
| Number of reflections | 28693 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 19.8 | 19.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | ammonium sulfate, cadmium slfate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
