1EI4
B-DNA DODECAMER CGCGAAT(TLC)CGCG WITH INCORPORATED [3.3.0]BICYCLO-ARABINO-THYMINE-5'-PHOSPHATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 5ID-B |
| Synchrotron site | APS |
| Beamline | 5ID-B |
| Temperature [K] | 105 |
| Detector technology | CCD |
| Collection date | 1999-06-04 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 25.280, 40.550, 65.130 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 17.000 - 1.430 |
| R-factor | 0.198 |
| Rwork | 0.198 |
| R-free | 0.21100 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.550 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.480 |
| High resolution limit [Å] | 1.430 | 1.430 |
| Rmerge | 0.065 | 0.188 |
| Total number of observations | 115296 * | |
| Number of reflections | 13592 | |
| <I/σ(I)> | 44.4 | |
| Completeness [%] | 99.9 | 99.2 |
| Redundancy | 8.5 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 295 | OLIGONUCLEOTIDE, SPERMINE, MAGNESIUM ACETATE, SODIUM CACODYLATE BUFFER, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | SPERMINE | ||
| 2 | 1 | 1 | MAGNESIUM ACETATE | ||
| 3 | 1 | 1 | SODIUM CACODYLATE BUFFER | ||
| 4 | 1 | 2 | MAGNESIUM ACETATE |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | 12mer | 1 (mM) | |
| 2 | 1 | drop | sodium cacodylate | 25 (mM) | |
| 3 | 1 | drop | 25 (mM) | ||
| 4 | 1 | drop | spermine | 3 (mM) | |
| 5 | 1 | reservoir | MPD | 35 (%) |
