4AI5
Crystal structure of Y16F of 3-methyladenine DNA glycosylase I (TAG) in complex with 3-methyladenine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-20 |
| Detector | RIGAKU SATURN 944 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 72.263, 78.813, 179.298 |
| Unit cell angles | 90.00, 90.53, 90.00 |
Refinement procedure
| Resolution | 179.290 - 2.220 |
| R-factor | 0.18458 |
| Rwork | 0.183 |
| R-free | 0.21622 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jg6 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.550 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.260 |
| High resolution limit [Å] | 2.220 | 2.220 |
| Rmerge | 0.040 | 0.110 |
| Number of reflections | 47714 | |
| <I/σ(I)> | 28 | 11 |
| Completeness [%] | 95.5 | 89.1 |
| Redundancy | 2.6 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | pH 8.5 |
