7M85
Human DNA Pol eta S113A with dA-ended primer and dATP: in crystallo reaction for 80 s
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 | 2012-10-22 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1 |
Spacegroup name | P 61 |
Unit cell lengths | 98.362, 98.362, 81.751 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.950 - 1.750 |
R-factor | 0.1769 |
Rwork | 0.174 |
R-free | 0.21230 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4ecq |
RMSD bond length | 0.007 |
RMSD bond angle | 1.052 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 1.780 |
High resolution limit [Å] | 1.750 | 4.740 | 1.750 |
Rmerge | 0.073 | 0.025 | 0.771 |
Total number of observations | 163049 | ||
Number of reflections | 43465 | 2107 | 2072 |
<I/σ(I)> | 10.5 | ||
Completeness [%] | 96.1 | 90.4 | 92.5 |
Redundancy | 3.8 | 4.3 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 6 | 295 | 15% PEG 2000 MME, 100 mM MES |