2HHW
ddTTP:O6-methyl-guanine pair in the polymerase active site, in the closed conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-12-14 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 1.008 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 93.834, 108.897, 150.111 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.880 |
| Rwork | 0.196 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lv5 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.195 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.950 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Number of reflections | 120016 | |
| <I/σ(I)> | 14.2 | 2 |
| Completeness [%] | 95.6 | 93.6 |
| Redundancy | 4.8 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 290 | 50% 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 | ammonium sulfate | ||
| 7 | 1 | 2 | H2O |
