4DF4
Crystal structure of the large fragment of DNA Polymerase I from Thermus aquaticus in a closed ternary complex with 7-(N-(10-hydroxydecanoyl)-aminopentinyl)-7-deaza-2 -dATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-05-12 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.000000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 107.815, 107.815, 89.678 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.202 - 2.200 |
| R-factor | 0.18 |
| Rwork | 0.177 |
| R-free | 0.22690 |
| Structure solution method | Difference Fourier Techniques |
| Starting model (for MR) | 3m8s |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.821 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX (1.7.3_928) |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.700 | 2.110 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Number of reflections | 41455 | |
| <I/σ(I)> | 13.87 | 1.64 |
| Completeness [%] | 99.5 | 96.9 |
| Redundancy | 11.09 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 18% PEG 8000, 200mM Mg-Formate, 100 mMTris pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
