9MHT
CYTOSINE-SPECIFIC METHYLTRANSFERASE HHAI/DNA COMPLEX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 99.860, 99.860, 325.200 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 6.000 - 2.390 |
| R-factor | 0.186 |
| Rwork | 0.186 |
| Structure solution method | OTHER |
| Starting model (for MR) | 5mht |
| RMSD bond length | 0.014 |
| RMSD bond angle | 25.500 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 23.000 |
| High resolution limit [Å] | 2.390 |
| Rmerge | 0.043 |
| Total number of observations | 61880 * |
| Number of reflections | 22634 |
| <I/σ(I)> | 16.8 |
| Completeness [%] | 91.6 |
| Redundancy | 2.73 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 5.6 | 16 * | 10% (W/V) POLYETHYLENE GLYCOL 8000 50 MM CA-ACETATE 50 MM SODIUM CACODYLATE PH 5.6 |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | SODIUM CACODYLATE | ||
| 2 | 1 | 1 | CALCIUM ACETATE | ||
| 3 | 1 | 1 | PEG 8000 | ||
| 4 | 1 | 2 | PEG 8000 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | PEG8000 | 10 (%(w/v)) | |
| 2 | 1 | drop | Ca-acetate | 50 (mM) | |
| 3 | 1 | drop | sodium cacodylate | 50 (mM) | |
| 4 | 1 | reservoir | sodium cacodylate | 50 (mM) |
