6Q4U
KlenTaq DNA pol in a closed ternary complex with 7-deaza-7-(2-(2-hydroxyethoxy)-N-(prop-2-yn-1-yl)acetamide)-2-dATP
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 | 2018-04-27 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9999 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 109.359, 109.359, 90.893 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.354 - 2.005 |
| R-factor | 0.1867 |
| Rwork | 0.185 |
| R-free | 0.21970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rtv |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.615 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((dev_3283: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.354 | 2.016 |
| High resolution limit [Å] | 2.005 | 2.005 |
| Rmeas | 0.090 | 0.849 |
| Number of reflections | 81414 | 13148 |
| <I/σ(I)> | 11.21 | 1.66 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 5.26 | 5.36 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | 14 % PEG 8000, 0.1 M Tris pH 8.0, 0.2 M magnesium formate, 10 % glycerol |
