7M8B
Human DNA Pol eta S113A with rA-ended primer and dATP: in crystallo reaction for 140 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 | 2013-10-22 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1 |
Spacegroup name | P 61 |
Unit cell lengths | 98.707, 98.707, 81.679 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.460 - 1.850 |
R-factor | 0.1657 |
Rwork | 0.162 |
R-free | 0.20990 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4ecq |
RMSD bond length | 0.007 |
RMSD bond angle | 0.919 |
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 | 1.880 |
High resolution limit [Å] | 1.850 | 5.020 | 1.850 |
Rmerge | 0.074 | 0.025 | 0.611 |
Total number of observations | 158226 | ||
Number of reflections | 38394 | 1917 | 1896 |
<I/σ(I)> | 10.9 | ||
Completeness [%] | 98.9 | 95.2 | 97.7 |
Redundancy | 4.1 | 4.2 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 6 | 295 | 15% PEG 2000 MME, 100 mM MES |