2HR1
Ternary structure of WT M.HhaI C5-Cytosine DNA methyltransferase with unmodified DNA and AdoHcy
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-09 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 98.720, 98.720, 322.780 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 2.010 - 1.960 |
| R-factor | 0.39 |
| Rwork | 0.238 |
| R-free | 0.26900 |
| Structure solution method | Simulation Annealling |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.250 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 8.050 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 51122 | |
| Completeness [%] | 90.9 | 72.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 290 | Ammonium Sulfate 15%, Sodium Citrate 100 mM, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Ammonium Sulfate | ||
| 2 | 1 | 1 | Sodium Citrate | ||
| 3 | 1 | 1 | H2O | ||
| 4 | 1 | 2 | Ammonium Sulfate | ||
| 5 | 1 | 2 | Sodium Citrate |
