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 |
