5YTG
Structure of large fragment of DNA Polymerase I from Thermus aquaticus Host-Guest complex with the unnatural base I-fC 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 | 2015-11-29 |
Detector | MAR CCD 130 mm |
Wavelength(s) | 0.9793 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 109.063, 109.063, 90.935 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 94.450 - 2.070 |
R-factor | 0.20077 |
Rwork | 0.198 |
R-free | 0.25203 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dfk |
RMSD bond length | 0.009 |
RMSD bond angle | 1.498 |
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] | 94.450 | 2.110 |
High resolution limit [Å] | 2.070 | 2.070 |
Number of reflections | 36400 | |
<I/σ(I)> | 22.95 | |
Completeness [%] | 99.7 | |
Redundancy | 6.1 |
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 |