5YTC
Large fragment of DNA Polymerase I from Thermus aquaticus in a closed ternary complex with the unnatural base M-fC pair with dATP in the active site
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 | 2016-04-26 |
Detector | MAR CCD 130 mm |
Wavelength(s) | 0.9793 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 108.886, 108.886, 90.533 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 94.300 - 2.280 |
R-factor | 0.19742 |
Rwork | 0.194 |
R-free | 0.25762 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dfk |
RMSD bond length | 0.009 |
RMSD bond angle | 1.461 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 94.300 | 2.320 |
High resolution limit [Å] | 2.280 | 2.280 |
Number of reflections | 25784 | |
<I/σ(I)> | 19.27 | |
Completeness [%] | 98.0 | |
Redundancy | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 8.5 | 293.15 | 0.2 M Mg(HCOO)2, 0.1 M Tris HCl (pH 8.5), 18% PEG 8000 |