2ZUR
Crystal Structure of Rh(nbd)/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 | 2006-03-03 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.5334 |
| Spacegroup name | F 4 3 2 |
| Unit cell lengths | 181.276, 181.276, 181.276 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.010 - 1.800 |
| R-factor | 0.1763 |
| Rwork | 0.175 |
| R-free | 0.19618 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dat |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.418 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.073 | 0.327 |
| Number of reflections | 24236 | |
| <I/σ(I)> | 38.2 | 9.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11.6 | 11.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.5M ammonium sulfate, 10mM cadmium sulfate, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
