1S23
Crystal Structure Analysis of the B-DNA Decamer CGCAATTGCG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.917 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 26.220, 44.359, 52.336 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.590 - 1.600 |
| R-factor | 0.21601 |
| Rwork | 0.210 |
| R-free | 0.28152 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NDB ENTRY UDJ031 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.595 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.061 | 0.230 |
| Number of reflections | 4174 | |
| <I/σ(I)> | 2.93 | |
| Completeness [%] | 98.4 | 89.1 |
| Redundancy | 17.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | MPD, acridine(RGR), cacodylate, calcium chloride, cobalt chloride, spermine , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MPD | ||
| 2 | 1 | 1 | acridine(RGR) | ||
| 3 | 1 | 1 | cacodylate | ||
| 4 | 1 | 1 | calcium chloride | ||
| 5 | 1 | 1 | cobalt chloride | ||
| 6 | 1 | 1 | spermine | ||
| 7 | 1 | 2 | MPD | ||
| 8 | 1 | 2 | calcium chloride | ||
| 9 | 1 | 2 | cobalt chloride |
