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 |