1IH1
Crystal Structure of the B-DNA Hexamer GGCGCC with Cobalt Hexamine Resolved to 2.0 Angstroms
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-09-26 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 41 2 2 |
| Unit cell lengths | 42.595, 42.595, 63.503 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.228 * |
| Rwork | 0.228 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.010 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.060 | 0.426 |
| Total number of observations | 18846 * | |
| Number of reflections | 4225 | |
| <I/σ(I)> | 15.2 | |
| Completeness [%] | 97.5 | 95 |
| Redundancy | 4.5 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | magnesium chloride, sodium cacodylate, spermine tetrahydrochloride, cobalt hexamine, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | magnesium chloride | ||
| 2 | 1 | 1 | sodium cacodylate | ||
| 3 | 1 | 1 | spermine tetrahydrochloride | ||
| 4 | 1 | 1 | cobalt hexamine |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | DNA | 0.7 (mM) | |
| 2 | 1 | drop | 25 (mM) | ||
| 3 | 1 | drop | 0.8 (mM) | ||
| 4 | 1 | drop | spermine tetrahydrochloride | 0.1-1.2 (mM) | |
| 5 | 1 | reservoir | MPD | 15 (%(v/v)) | |
| 6 | 1 | drop | 2 (mM) |
