2Z6A
S-Adenosyl-L-methionine-Dependent Methyl Transfer: Observable Precatalytic Intermediates during DNA Cytosine Methylation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-12-01 |
| Detector | MAR scanner 180 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 98.490, 98.490, 323.610 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 8.850 - 2.880 |
| R-factor | 0.239 |
| Rwork | 0.220 |
| R-free | 0.28000 |
| Structure solution method | Simulation annealing |
| Starting model (for MR) | 2hr1 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.520 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.980 |
| High resolution limit [Å] | 2.880 | 2.880 |
| Rmerge | 0.160 | 0.400 |
| Number of reflections | 14120 | |
| <I/σ(I)> | 6.3 | 2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 3.5 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 290 | 2.0M Ammonium Sulfate, 50mM Sodium Citrate, pH 6.5, 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 | ||
| 6 | 1 | 2 | H2O |
