4AIA
The structural basis of 3-methyladenine recognition by 3- methyladenine DNA glycosylase I (TAG) from Staphylococcus aureus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-09-01 |
Detector | QUANTUM 4 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 73.000, 78.590, 179.810 |
Unit cell angles | 90.00, 90.56, 90.00 |
Refinement procedure
Resolution | 28.190 - 1.800 |
R-factor | 0.18045 |
Rwork | 0.178 |
R-free | 0.21820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2jg6 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.189 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.600 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.050 | 0.240 |
Number of reflections | 92544 | |
<I/σ(I)> | 17.5 | 4.8 |
Completeness [%] | 98.4 | 91.6 |
Redundancy | 3.7 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | pH 8.5 |