1UA0
Aminofluorene DNA adduct at the pre-insertion site of a DNA polymerase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2000-01-08 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 87.868, 93.471, 104.656 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.170 - 2.100 |
R-factor | 0.211 |
Rwork | 0.210 |
R-free | 0.24200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ID 2BDP |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.089 | 0.174 |
Number of reflections | 51039 | |
<I/σ(I)> | 11.5 | 3.6 |
Completeness [%] | 84.3 | 51.9 |
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 |