5W6Q
Structural basis for recognition of artificial DNA by an evolved KlenTaq variant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-02-24 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.9793 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 199.282, 114.611, 90.516 |
Unit cell angles | 90.00, 91.88, 90.00 |
Refinement procedure
Resolution | 49.132 - 2.660 |
R-factor | 0.2131 |
Rwork | 0.211 |
R-free | 0.24710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3sz2 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.703 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.132 | 99.339 | 2.810 |
High resolution limit [Å] | 2.662 | 8.420 | 2.660 |
Rmerge | 0.021 | 0.452 | |
Rmeas | 0.118 | 0.028 | 0.599 |
Rpim | 0.063 | 0.015 | 0.349 |
Total number of observations | 194839 | 6693 | 22121 |
Number of reflections | 57623 | ||
<I/σ(I)> | 11.8 | 35.4 | 2.2 |
Completeness [%] | 98.8 | 96.8 | 97.8 |
Redundancy | 3.4 | 3.6 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277.15 | 14 % PEG 8000, 0.2 M Mg formate, 0.1 M MES pH 6.0 |