3KHH
Dpo4 extension ternary complex with a C base opposite the 2-aminofluorene-guanine [AF]G lesion
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.746, 98.799, 98.638 |
| Unit cell angles | 90.00, 99.08, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.700 |
| R-factor | 0.19465 |
| Rwork | 0.192 |
| R-free | 0.25239 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2asd |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.365 |
| 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 | 2.780 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.088 | 0.421 |
| Number of reflections | 27915 | |
| <I/σ(I)> | 13.6 | 2.4 |
| Completeness [%] | 98.3 | 97.9 |
| Redundancy | 3.4 | 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 |
