6M7T
Human DNA polymerase eta in a non-productive ternary complex with Ca2+ and dTTP oppositing cdA
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 | 2014-08-14 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.650, 80.930, 140.380 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.734 - 2.800 |
R-factor | 0.2221 |
Rwork | 0.220 |
R-free | 0.26120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3si8 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.364 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.12_2829)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.870 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.092 | 0.643 |
Number of reflections | 19880 | 1364 |
<I/σ(I)> | 16 | |
Completeness [%] | 99.8 | |
Redundancy | 5 | |
CC(1/2) | 0.998 | 0.894 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 16 % PEG 2000 MME 100 mM MES, pH 6.0 |