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 |
