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 |