4O3S
Crystal structure of human polymerase eta extending an 8-oxog dna lesion: post insertion of 8-oxog-dc pair
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-07-21 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 61 |
Unit cell lengths | 98.312, 98.312, 81.596 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.570 - 1.717 |
R-factor | 0.1742 |
Rwork | 0.172 |
R-free | 0.21040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ecq |
RMSD bond length | 0.007 |
RMSD bond angle | 1.163 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER ((MR)) |
Refinement software | PHENIX ((phenix.refine: dev_1551)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.240 | 1.750 |
High resolution limit [Å] | 1.720 | 2.170 | 1.720 |
Rmerge | 0.060 | 0.123 | 0.757 |
Number of reflections | 47707 | ||
<I/σ(I)> | 31.255 | 17.973 | 2.622 |
Completeness [%] | 99.7 | 99.9 | 99.2 |
Redundancy | 7.2 | 7.5 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 0.1 M MES pH 5.5, 5mM magnesium chloride, 17% PEG 2000 MME, VAPOR DIFFUSION, HANGING DROP, temperature 291.0K |