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 |
