1K2L
STRUCTURAL CHARACTERIZATION OF BISINTERCALATION IN HIGHER-ORDER DNA AT A JUNCTION-LIKE QUADRUPLEX
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X31 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X31 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1996-11-15 |
Detector | MARRESEARCH |
Wavelength(s) | 0.979 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 29.507, 53.738, 40.061 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 9.000 - 2.400 |
R-factor | 0.2452 |
Rwork | 0.239 |
R-free | 0.30940 * |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.026 |
RMSD bond angle | 0.000 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | SHELXL |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 13.500 | 2.360 |
High resolution limit [Å] | 2.350 * | 2.280 |
Rmerge | 0.074 * | |
Number of reflections | 2063 | |
<I/σ(I)> | 11.57 | |
Completeness [%] | 88.1 | 93.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 285 | Sodium cacodylate buffer, magnesium acetate, cobalt chloride, spermine, MPD, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 285.0K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | Sodium cacodylate buffer | ||
2 | 1 | 1 | magnesium acetate | ||
3 | 1 | 1 | COCl2 | ||
4 | 1 | 1 | spermine | ||
5 | 1 | 1 | MPD | ||
6 | 1 | 2 | magnesium acetate | ||
7 | 1 | 2 | COCl2 | ||
8 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | sodium cacodylate | 20 (mM) | pH6.5 |
2 | 1 | drop | DNA duplex | 0.5 (mM) | |
3 | 1 | drop | bis-DACA | 0.25 (mM) | |
4 | 1 | drop | magnesium acetate | 1 (mM) | |
5 | 1 | drop | 2 (mM) | ||
6 | 1 | drop | spermine | 6 (mM) | |
7 | 1 | drop | MPD | 2 (%(v/v)) | |
8 | 1 | reservoir | 10 (%) |