2G1Z
X-ray structure of the oligonucleotide sequence d(AAATTT)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM16 |
| Synchrotron site | ESRF |
| Beamline | BM16 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2005-11-16 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9840 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 43.127, 43.127, 176.579 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.000 - 3.110 |
| R-factor | 0.29132 |
| Rwork | 0.282 |
| R-free | 0.37960 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.835 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 3.210 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.032 | 0.053 |
| Number of reflections | 1284 | |
| Completeness [%] | 98.8 | 96.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 25mM cacodylate, 100mM calcium chloride, 20mM lythium chloride, 0.5mM spermine, 32% MPD, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | cacodylate | ||
| 2 | 1 | 1 | CaCl2 | ||
| 3 | 1 | 1 | LiCl | ||
| 4 | 1 | 1 | spermine | ||
| 5 | 1 | 1 | MPD | ||
| 6 | 1 | 2 | cacodylate | ||
| 7 | 1 | 2 | CaCl2 | ||
| 8 | 1 | 2 | LiCl | ||
| 9 | 1 | 2 | MPD |
