383D
Hydration and recognition of methylated CPG steps in DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LURE BEAMLINE DW32 |
| Synchrotron site | LURE |
| Beamline | DW32 |
| Temperature [K] | 270 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-03 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 23.900, 45.300, 46.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 7.000 - 1.700 |
| R-factor | 0.196 |
| Rwork | 0.196 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | ISOMORPHOUS A-DNA |
| RMSD bond length | 0.011 |
| RMSD bond angle | 27.000 * |
| Data reduction software | AUTOMAR |
| Data scaling software | XDS |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 |
| High resolution limit [Å] | 1.700 |
| Rmerge | 0.038 |
| Number of reflections | 5804 |
| Completeness [%] | 94.4 |
| Redundancy | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6 | 20 * | MPD, SPERMINE, MGCL2, pH 6.00 |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | WATER | ||
| 2 | 1 | 1 | MPD | ||
| 3 | 1 | 1 | SPERMINE | ||
| 4 | 1 | 1 | MGCL2 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | dodecamer duplex solution | 0.5 (mM) | |
| 2 | 1 | reservoir | sodium cacodylate | 50 (mM) | |
| 3 | 1 | reservoir | spermine | 0.4 (mM) | |
| 4 | 1 | reservoir | magnesium acetate | 4 (mM) | |
| 5 | 1 | reservoir | MPD | 35 (%) |
