3KHG
Dpo4 extension ternary complex with misinserted A opposite the 2-aminofluorene-guanine [AF]G lesion
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-11-17 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.03320 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.811, 110.948, 100.772 |
Unit cell angles | 90.00, 101.38, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.960 |
R-factor | 0.20897 |
Rwork | 0.205 |
R-free | 0.28166 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2asd |
RMSD bond length | 0.011 |
RMSD bond angle | 1.604 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 3.070 |
High resolution limit [Å] | 2.960 | 2.960 |
Rmerge | 0.108 | 0.710 |
Number of reflections | 23080 | |
<I/σ(I)> | 11.4 | 1.8 |
Completeness [%] | 96.2 | 94.3 |
Redundancy | 3.5 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 100 mM HEPES pH 7.0, 100 mM Calcium acetate, 10% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | HEPES | ||
2 | 1 | 1 | Calcium acetate | ||
3 | 1 | 1 | PEG 4000 | ||
4 | 1 | 2 | HEPES | ||
5 | 1 | 2 | Calcium acetate | ||
6 | 1 | 2 | PEG 4000 |