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 |