1IH2
Crystal Structure of GGBr5CGBr5CC
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-11-01 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 60.672, 60.672, 24.612 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.800 |
| R-factor | 0.211 * |
| Rwork | 0.211 |
| R-free | 0.25700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.950 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 * | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.081 * | 0.544 * |
| Total number of observations | 10777 * | |
| Number of reflections | 1215 | |
| <I/σ(I)> | 19 | |
| Completeness [%] | 95.2 | 99.1 |
| Redundancy | 8.9 | 8.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | magnesium chloride, sodium cacodylate, spermine tetrahydrochloride, 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 |
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)) |
