1U48
Extension of a cytosine-8-oxoguanine base pair
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-08-04 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 87.342, 93.265, 106.084 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.780 - 2.100 |
| R-factor | 0.2051 |
| Rwork | 0.205 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1l3s |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 51291 | |
| <I/σ(I)> | 10.1 | 2.6 |
| Completeness [%] | 89.5 | 82.9 |
| Redundancy | 13 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 290 | Ammonium sulfate, magnesium sulfate, mpd, mes, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | (NH4)2SO4 | ||
| 2 | 1 | 1 | MGSO4 | ||
| 3 | 1 | 1 | MPD | ||
| 4 | 1 | 1 | MES | ||
| 5 | 1 | 2 | (NH4)2SO4 | ||
| 6 | 1 | 2 | MGSO4 | ||
| 7 | 1 | 2 | MPD |
