2HHQ
O6-methyl-guanine:T pair in the polymerase-10 basepair position
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-03-29 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.792, 93.274, 106.018 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.800 |
| Rwork | 0.212 |
| R-free | 0.24400 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.155 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.680 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Number of reflections | 122488 | |
| <I/σ(I)> | 13.8 | 2.7 |
| Completeness [%] | 96.1 | 92 |
| Redundancy | 7.1 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 290 | 45% saturated ammonium sulfate, 2.5% MPD, 100mM MES, 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 | MPD | ||
| 3 | 1 | 1 | MES | ||
| 4 | 1 | 1 | H2O | ||
| 5 | 1 | 2 | ammonium sulfate | ||
| 6 | 1 | 2 | MPD | ||
| 7 | 1 | 2 | H2O |
