7M8D
Human DNA Pol eta S113A with rA-ended primer and dATP: in crystallo reaction for 300 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 | 2020-10-22 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1 |
Spacegroup name | P 61 |
Unit cell lengths | 98.422, 98.422, 81.618 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.970 - 1.920 |
R-factor | 0.1667 |
Rwork | 0.163 |
R-free | 0.21710 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4ecq |
RMSD bond length | 0.006 |
RMSD bond angle | 0.883 |
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] | 35.000 | 35.000 | 1.950 |
High resolution limit [Å] | 1.920 | 5.210 | 1.920 |
Rmerge | 0.084 | 0.024 | 0.694 |
Total number of observations | 128624 | ||
Number of reflections | 34317 | 1737 | 1709 |
<I/σ(I)> | 9.6 | ||
Completeness [%] | 99.7 | 97.9 | 99.9 |
Redundancy | 3.7 | 3.8 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 6 | 295 | 15% PEG 2000 MME, 100 mM MES |