3GSJ
A Bulky Rhodium Complex Bound to an Adenosine-Adenosine DNA Mismatch
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 39.020, 39.020, 57.420 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.590 - 1.800 |
| R-factor | 0.18471 |
| Rwork | 0.183 |
| R-free | 0.21251 |
| Structure solution method | SAD |
| RMSD bond length | 0.032 |
| RMSD bond angle | 4.281 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.700 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.061 | 0.782 |
| Number of reflections | 4469 | |
| <I/σ(I)> | 19.1 | 2.3 |
| Completeness [%] | 98.7 | 97.4 |
| Redundancy | 6.5 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 298 | 20 mM sodium cacodylate, 6 mM spermine, 4HCl, 40 mM KCl, 5% MPD, pH 7, VAPOR DIFFUSION |
