3KHR
Dpo4 post-extension ternary complex with the correct C 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 | 2007-07-24 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97914 |
| Spacegroup name | P 1 |
| Unit cell lengths | 52.477, 53.019, 99.858 |
| Unit cell angles | 81.76, 76.76, 70.14 |
Refinement procedure
| Resolution | 20.000 - 2.010 |
| R-factor | 0.20822 |
| Rwork | 0.206 |
| R-free | 0.24650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2asd |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.444 |
| 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 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.075 | 0.469 |
| Number of reflections | 63173 | |
| <I/σ(I)> | 15.9 | 3.3 |
| Completeness [%] | 96.7 | 96.3 |
| Redundancy | 4 | 4 |
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 |
