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 |