2H9S
Crystal Structure of Homo-DNA and Nature's Choice of Pentose over Hexose in the Genetic System
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 5ID-B |
| Synchrotron site | APS |
| Beamline | 5ID-B |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2000-03-06 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 38.940, 38.940, 133.850 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.750 |
| R-factor | 0.24 |
| Rwork | 0.240 |
| R-free | 0.28000 |
| Structure solution method | MAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.170 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.035 | 0.220 |
| Number of reflections | 6688 | |
| <I/σ(I)> | 9.9 | 9.9 |
| Completeness [%] | 99.2 | 98.9 |
| Redundancy | 12.9 | 12.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 290 | 1.5 mM homo-DNA, 8 mM Sodium Cacodylate (pH 7.0), 6 mM Magnesium Chloride, 12% MPD (2-methyl-2,4-pentanediol), VAPOR DIFFUSION, SITTING DROP, temperature 290K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Sodium Cacodylate | ||
| 2 | 1 | 1 | Magnesium Chloride | ||
| 3 | 1 | 1 | MPD (2-methyl-2,4-pentanediol) | ||
| 4 | 1 | 1 | H2O | ||
| 5 | 1 | 2 | Sodium Cacodylate | ||
| 6 | 1 | 2 | Magnesium Chloride | ||
| 7 | 1 | 2 | H2O |
