5Z3N
Structure of large fragment of DNA Polymerase I from Thermus aquaticus Host-Guest complex with the unnatural base 5fC pair with dA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-12-15 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 107.947, 107.947, 90.121 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 93.480 - 1.910 |
| R-factor | 0.18568 |
| Rwork | 0.183 |
| R-free | 0.22933 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dfk |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.550 |
| 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] | 93.490 | 1.940 |
| High resolution limit [Å] | 1.910 | 1.910 |
| Number of reflections | 42010 | |
| <I/σ(I)> | 18.69 | |
| Completeness [%] | 99.8 | |
| Redundancy | 6.4 |
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, 24% PEG 8000 |
