5O7T
Crystal structure of KlenTaq mutant M747K in a closed ternary complex with a dG:dCTP base pair
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 | 2016-12-07 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.999975 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 109.476, 109.476, 91.390 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.404 - 1.800 |
| R-factor | 0.1799 |
| Rwork | 0.177 |
| R-free | 0.23480 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3m8s |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.241 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | PHENIX ((dev_2747: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.405 | 1.910 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmeas | 0.085 | 2.875 |
| Number of reflections | 112020 | 17660 |
| <I/σ(I)> | 11.06 | 0.5 |
| Completeness [%] | 98.2 | 95.8 |
| Redundancy | 5.2 | 5 |
| CC(1/2) | 0.999 | 0.169 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291 | 20% PEG 3350, 0 .1M Magnesiumacetate |
