4GOO
Crystal Structure of E. coli DNA Adenine Methyltransferase in Complex with Benzothiophene Aza-SAM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-08-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.924530 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 161.460, 161.460, 95.214 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.060 - 2.700 |
| R-factor | 0.21244 |
| Rwork | 0.211 |
| R-free | 0.24141 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.062 |
| Data scaling software | SCALA (3.3.15) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 37.127 | 37.127 | 2.730 |
| High resolution limit [Å] | 2.664 | 11.910 | 2.660 |
| Rmerge | 0.020 | 0.893 | |
| Number of reflections | 41029 | ||
| <I/σ(I)> | 14.6 | 29.6 | 0.9 |
| Completeness [%] | 99.9 | 95.4 | 100 |
| Redundancy | 6.2 | 5.1 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 100 mM MES, 1600 mM ammonium Sulfate, 14-18% glycerol, pH 7.0, Vapor diffusion, hanging drop, temperature 293K |
