3M8R
Crystal structure of the large fragment of DNA polymerase I from Thermus aquaticus in a closed ternary complex with trapped 4'-ethylated dTTP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2009-06-13 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 108.789, 108.789, 90.520 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.107 - 2.000 |
| R-factor | 0.1819 |
| Rwork | 0.180 |
| R-free | 0.22070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ktq |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.827 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.6_289)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.108 | 2.120 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.075 | 0.879 |
| Number of reflections | 42216 | |
| <I/σ(I)> | 22.1 | 2.59 |
| Completeness [%] | 99.8 | 98.6 |
| Redundancy | 9.97 | 10.04 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 30% (w/v) PEG 8000, 0.2M ammonium acetate, 0.02M magnesium acetate, 0.05M sodium cacodylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 8000 | ||
| 2 | 1 | 1 | ammonium acetate | ||
| 3 | 1 | 1 | magnesium acetate | ||
| 4 | 1 | 1 | sodium cacodylate | ||
| 5 | 1 | 2 | PEG 8000 | ||
| 6 | 1 | 2 | ammonium acetate | ||
| 7 | 1 | 2 | magnesium acetate | ||
| 8 | 1 | 2 | sodium cacodylate |
