1PU7
Crystal structure of H.pylori 3-methyladenine DNA glycosylase (MagIII) bound to 3,9-dimethyladenine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ELLIOTT GX-13 |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 2002-09-03 |
Detector | MARRESEARCH |
Wavelength(s) | 1.542 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 146.605, 44.399, 81.516 |
Unit cell angles | 90.00, 106.40, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.930 |
R-factor | 0.1851 |
Rwork | 0.183 |
R-free | 0.22200 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pu6 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.546 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.020 |
High resolution limit [Å] | 1.930 | 1.930 |
Rmerge | 0.050 * | 0.299 * |
Number of reflections | 35778 | 3327 * |
<I/σ(I)> | 21.2 | 2.5 |
Completeness [%] | 95.2 | 90.3 |
Redundancy | 5.2 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 7 | 4 * | PEG 4000, HEPES, MPD, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 4 (mg/ml) | |
2 | 1 | reservoir | MPD | 2 (%) |