3IGT
A rare nucleotide base tautomer in the structure of an asymmetric DNA junction
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 |
| Unit cell lengths | 22.344, 34.554, 37.631 |
| Unit cell angles | 109.92, 90.03, 109.02 |
Refinement procedure
| Resolution | 8.000 - 1.900 |
| R-factor | 0.224 |
| Rwork | 0.224 |
| R-free | 0.26500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.800 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.020 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 6797 | |
| <I/σ(I)> | 15.5 | 2.8 |
| Completeness [%] | 89.9 | 62.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.8 mM DNA; 25 mM sodium cacodylate buffer; 100 mM calcium chloride; equilibrated against a reservoir of 35% aqueous 2-methyl-2,4-dimethylpentanediol, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
