3AF7
Crystal Structure of 25Pd(allyl)/apo-Fr
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-26 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.5080 |
| Spacegroup name | F 4 3 2 |
| Unit cell lengths | 181.520, 181.520, 181.520 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.170 - 1.580 |
| R-factor | 0.19267 |
| Rwork | 0.192 |
| R-free | 0.21179 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dat |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.314 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.640 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.083 | 0.285 |
| Number of reflections | 35634 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 12.1 | 12.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | ammonium sulfate, cadmium sulfate, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
