5YTH
Structure of large fragment of DNA Polymerase I from Thermus aquaticus Host-Guest complex with the unnatural base M-fC pair with dG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 109.273, 109.273, 91.119 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 94.630 - 2.530 |
| R-factor | 0.20724 |
| Rwork | 0.204 |
| R-free | 0.27457 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dfk |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.309 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 94.630 | 2.570 |
| High resolution limit [Å] | 2.530 | 2.530 |
| Number of reflections | 20264 | |
| <I/σ(I)> | 18.76 | |
| Completeness [%] | 99.9 | |
| Redundancy | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7 | 293.15 | 0.05 M sodium cacodylate (pH 7.0), 0.2 M ammonium acetate, 0.01 M magnesium acetate, 30% PEG 8000 |
