1DC0
CRYSTAL STRUCTURE OF AN A/B-DNA INTERMEDIATE CATGGGCCCATG
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS |
Synchrotron site | NSLS |
Temperature [K] | 110 |
Detector technology | AREA DETECTOR |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 40.197, 40.197, 77.336 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.300 |
R-factor | 0.172 |
Rwork | 0.168 |
R-free | 0.20000 * |
Structure solution method | SIRAS BASED ON THE IODINATED SEQUENCE D(CAT(IODO-G)GGCCCATG) |
RMSD bond length | 0.007 |
RMSD bond angle | 0.016 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | DM |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.350 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.070 * | 0.173 * |
Total number of observations | 128129 * | |
Number of reflections | 16111 * | |
<I/σ(I)> | 43.6 | |
Completeness [%] | 98.6 * | 90 * |
Redundancy | 13 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 4 * | 2.3MM DUPLEX DNA, 120 MM CALCIUM ACETATE, 4.8 MM SPERMINE, 60 MM SODIUM CACODYLATE BUFFER, PH 7.0, 9.5% MPD IN DROP, 25% MPD IN RESERVOIR, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | CALCIUM ACETATE | ||
2 | 1 | 1 | SPERMINE | ||
3 | 1 | 1 | SODIUM CACODYLATE | ||
4 | 1 | 1 | MPD | ||
5 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | duplex DNA | 2.3 (mM) | |
2 | 1 | drop | Ca-acetate | 120 (mM) | |
3 | 1 | drop | spermine | 4.8 (mM) | |
4 | 1 | drop | Na cacodylate | 60 (mM) | |
5 | 1 | drop | 9.5 (%(v/v)) | ||
6 | 1 | reservoir | MPD | 25 (%(v/v)) |