2HW3
T:O6-methyl-guanine pair in the polymerase postinsertion site (-1 basepair position)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS II |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 88.098, 93.684, 105.250 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.880 - 1.980 |
| Rwork | 0.210 |
| R-free | 0.25200 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.286 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.100 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Number of reflections | 57765 | |
| <I/σ(I)> | 11.45 | 3.4 |
| Completeness [%] | 93.8 | 67.7 |
| Redundancy | 4.7 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 290 | 45% saturated ammonium sulfate, 100mM MES, 2.5% MPD, 10mM MgSO4, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | ammonium sulfate | ||
| 2 | 1 | 1 | MES | ||
| 3 | 1 | 1 | MPD | ||
| 4 | 1 | 1 | MgSO4 | ||
| 5 | 1 | 1 | H2O | ||
| 6 | 1 | 2 | ammonium sulfate | ||
| 7 | 1 | 2 | MPD | ||
| 8 | 1 | 2 | MgSO4 | ||
| 9 | 1 | 2 | H2O |
