7M87
Human DNA Pol eta S113A with dA-ended primer and dATP: in crystallo reaction for 230 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 | 98.262, 98.262, 81.935 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.940 - 1.850 |
R-factor | 0.2026 |
Rwork | 0.201 |
R-free | 0.22760 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4ecq |
RMSD bond length | 0.007 |
RMSD bond angle | 1.062 |
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 | 1.880 |
High resolution limit [Å] | 1.850 | 5.010 | 1.850 |
Rmerge | 0.081 | 0.021 | 0.805 |
Total number of observations | 142485 | ||
Number of reflections | 38284 | 1983 | 1872 |
<I/σ(I)> | 9.5 | ||
Completeness [%] | 99.6 | 99.7 | 99 |
Redundancy | 3.7 | 3.7 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 6 | 295 | 15% PEG 2000 MME, 100 mM MES |