1M77
Near Atomic Resolution Crystal Structure of an A-DNA Decamer d(CCCGATCGGG): Cobalt Hexammine Interactions with A-DNA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | SIEMENS |
Temperature [K] | 298 |
Detector technology | AREA DETECTOR |
Collection date | 1993-09-22 |
Detector | NICOLET |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 44.300, 44.300, 24.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 1.250 |
Rwork | 0.163 |
R-free | 0.18500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | fiber A-DNA |
RMSD bond length | 0.012 * |
RMSD bond angle | 3.400 * |
Data reduction software | X-GEN (2.0) |
Data scaling software | X-GEN (2.0) |
Refinement software | X-PLOR |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.000 | 1.310 |
High resolution limit [Å] | 1.250 | 1.250 |
Rmerge | 0.055 * | |
Total number of observations | 51067 * | |
Number of reflections | 6929 | |
Completeness [%] | 90.0 | |
Redundancy | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | cobalt hexammine, cacodylate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | cobalt hexammine | ||
2 | 1 | 1 | cacodylate |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | DNA single strand | 1 (mM) | |
2 | 1 | drop | sodium cacodylate | 40 (mM) | pH6.0 |
3 | 1 | drop | cobalt hexammine chloride | 0.5 (mM) | |
4 | 1 | reservoir | MPD | 50 (%(v/v)) |