5W6K
Structure of mutant Taq Polymerase incorporating unnatural base pairs Z:P
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-03-02 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 109.306, 109.306, 90.871 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.978 - 2.339 |
R-factor | 0.2265 |
Rwork | 0.224 |
R-free | 0.27460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3rtv |
RMSD bond length | 0.003 |
RMSD bond angle | 0.590 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.978 | 100.000 | 2.390 |
High resolution limit [Å] | 2.339 | 6.380 | 2.350 |
Rmerge | 0.112 | 0.113 | 0.399 |
Rmeas | 0.122 | 0.121 | 0.463 |
Rpim | 0.046 | 0.044 | 0.228 |
Number of reflections | 26672 | 1435 | 1287 |
<I/σ(I)> | 12.2 | ||
Completeness [%] | 99.3 | 98.6 | 96.5 |
Redundancy | 6.1 | 7.2 | 3.5 |
CC(1/2) | 0.982 | 0.822 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277.16 | 19 % PEG 4000, 0.2 M ammonium acetate, 0.01 M magnesium acetate, 0.05 M sodium cacodylate pH 6.5 |