3GIJ
Dpo4 extension ternary complex with oxoG(syn)-A(anti) and oxoG(anti)-A(syn) pairs
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 | 2005-11-22 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97942 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.264, 107.409, 97.867 |
| Unit cell angles | 90.00, 100.54, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.400 |
| R-factor | 0.212 |
| Rwork | 0.209 |
| R-free | 0.25300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gii |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.601 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.420 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.064 | 0.424 |
| Number of reflections | 40120 | |
| <I/σ(I)> | 20.1 | 1.8 |
| Completeness [%] | 92.7 | 62.4 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 100 mM HEPES, 100 mM Calcium acetate, 10% PEG 4000, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | HEPES | ||
| 2 | 1 | 2 | Calcium acetate | ||
| 3 | 1 | 3 | PEG 4000 |
