4N5S
Ternary complex structure of Klenow fragment of Taq DNA polymerase I707L mutant (Cs3C KlenTaq) with DNA and ddCTP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-11-18 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97911 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 107.657, 107.657, 89.659 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.800 - 1.670 |
| R-factor | 0.16259 |
| Rwork | 0.161 |
| R-free | 0.19156 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ktq |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.557 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.800 | 1.700 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Number of reflections | 64469 | |
| <I/σ(I)> | 30.19 | |
| Completeness [%] | 76.3 | |
| Redundancy | 3.6 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 289 | 0.1 M HEPES, pH 7.5, 20 mM manganese chloride, 0.1 M sodium acetate, 10% w/v PEG4000, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
