4AI4
crystal structure of E38Q mutant of 3-methyladenine DNA glycosylase I from Staphylococcus aureus
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 | 107.060, 63.340, 38.230 |
| Unit cell angles | 90.00, 109.26, 90.00 |
Refinement procedure
| Resolution | 53.670 - 1.730 |
| R-factor | 0.17485 |
| Rwork | 0.173 |
| R-free | 0.20570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jg6 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.325 |
| 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] | 36.090 | 1.770 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmerge | 0.050 | 0.380 |
| Number of reflections | 20849 | |
| <I/σ(I)> | 20 | 2.5 |
| Completeness [%] | 82.5 | 26.1 |
| Redundancy | 3.4 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | pH 8.5 |
