2OFI
Crystal Structure of 3-methyladenine DNA Glycosylase I (TAG) bound to DNA/3mA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-12-09 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 63 |
| Unit cell lengths | 101.963, 101.963, 55.461 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.850 |
| R-factor | 0.17666 |
| Rwork | 0.176 |
| R-free | 0.19784 |
| Structure solution method | SAD |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.868 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 28261 | |
| <I/σ(I)> | 27.2 | 3.4 |
| Completeness [%] | 99.6 | 97.9 |
| Redundancy | 6.4 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | 2M ammonium sulfate, 2% PEG 400, 100 mM HEPES pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | ammonium sulfate | ||
| 2 | 1 | 1 | PEG | ||
| 3 | 1 | 1 | HEPES | ||
| 4 | 1 | 1 | H2O | ||
| 5 | 1 | 2 | ammonium sulfate | ||
| 6 | 1 | 2 | PEG | ||
| 7 | 1 | 2 | HEPES |
