3EIL
Structure of B-DNA d(CGTTAATTAACG)2 in the presence of Manganese
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM16 |
| Synchrotron site | ESRF |
| Beamline | BM16 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-08 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97827 |
| Spacegroup name | P 32 |
| Unit cell lengths | 43.795, 43.795, 98.345 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.930 - 2.600 |
| R-factor | 0.23679 |
| Rwork | 0.235 |
| R-free | 0.28471 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 463d |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.398 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.930 | 2.700 |
| High resolution limit [Å] | 2.410 | 2.590 |
| Rmerge | 0.051 | 0.795 |
| Number of reflections | 6461 | |
| Completeness [%] | 99.6 | 99.3 |
| Redundancy | 4.6 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 289 | 25 mM Sodium Cacodylate, 10 mM Manganese, 25 mM spermine, 25 % MPD,0,1 mM DNA, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Sodium Cacodylate | ||
| 2 | 1 | 1 | Manganese | ||
| 3 | 1 | 1 | spermine | ||
| 4 | 1 | 1 | MPD | ||
| 5 | 1 | 2 | Sodium Cacodylate | ||
| 6 | 1 | 2 | Manganese | ||
| 7 | 1 | 2 | MPD |
