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 |