7M89
Human DNA Pol eta S113A with rA-ended primer and dATP: in crystallo reaction for 0 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 | 2013-10-16 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1 |
Spacegroup name | P 61 |
Unit cell lengths | 99.144, 99.144, 82.014 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.450 - 1.830 |
R-factor | 0.1754 |
Rwork | 0.172 |
R-free | 0.21330 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4ecq |
RMSD bond length | 0.007 |
RMSD bond angle | 0.903 |
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] | 40.000 | 40.000 | 1.860 |
High resolution limit [Å] | 1.830 | 4.960 | 1.830 |
Rmerge | 0.079 | 0.023 | 0.662 |
Total number of observations | 126881 | ||
Number of reflections | 39793 | 1901 | 2003 |
<I/σ(I)> | 9.5 | ||
Completeness [%] | 98.7 | 91.4 | 99.7 |
Redundancy | 3.2 | 3.4 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 6 | 295 | 15% PEG 2000 MME, 100 mM MES |