2Z6U
Ternary structure of the Glu119Ala 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 | 2006-02-01 |
| Detector | RIGAKU |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 98.410, 98.410, 322.310 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 2.720 |
| Rwork | 0.212 |
| R-free | 0.26700 |
| Structure solution method | Simulation Annealing |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.240 |
| 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] | 2.700 | 2.700 |
| Rmerge | 0.091 | 0.416 |
| Number of reflections | 16916 | |
| <I/σ(I)> | 10.7 | 10.2 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 12.5 | 12.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 290 | 100mM sodium citrate buffer, 45%-55% 3.5M ammonium sulfate, pH 6.0, 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 |
