2Z6Q
Ternary structure of Arg165Ala M.HhaI C5-Cytosine DNA methyltransferase with unmodified DNA and AdoHcy
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-07-01 |
| Detector | RIGAKU |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 92.924, 92.924, 315.781 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 2.790 |
| Rwork | 0.209 |
| R-free | 0.26900 |
| Structure solution method | Simulation Anealing |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.250 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 2.800 |
| High resolution limit [Å] | 2.500 | 2.700 |
| Rmerge | 0.121 | 0.469 |
| Number of reflections | 13511 | |
| <I/σ(I)> | 12.9 | 0.409 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 7.1 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 290 | 100 mM sodium citrate (pH 6.0), ammonium sulfate 1.2M, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | sodium citrate | ||
| 2 | 1 | 1 | ammonium sulfate | ||
| 3 | 1 | 1 | H2O | ||
| 4 | 1 | 2 | sodium citrate | ||
| 5 | 1 | 2 | ammonium sulfate | ||
| 6 | 1 | 2 | H2O |
