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 |