2O4F
Structure of a parallel-stranded guanine tetraplex crystallised with monovalent ions
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-07-16 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.8726 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 28.920, 57.370, 35.920 |
| Unit cell angles | 90.00, 108.00, 90.00 |
Refinement procedure
| Resolution | 14.680 - 1.500 |
| R-factor | 0.206 |
| Rwork | 0.204 |
| R-free | 0.25700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 352d |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.600 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 1.590 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 17547 | |
| <I/σ(I)> | 7.05 | 2.71 |
| Completeness [%] | 96.4 | 93.4 |
| Redundancy | 1.7 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 1.8 M lithium sulphate, 0.01 M magnesium sulphate, 0.05 M sodium cacodylate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | lithium sulphate | ||
| 2 | 1 | 1 | magnesium sulphate | ||
| 3 | 1 | 1 | sodium cacodylate | ||
| 4 | 1 | 1 | H2O | ||
| 5 | 1 | 2 | lithium sulphate | ||
| 6 | 1 | 2 | magnesium sulphate | ||
| 7 | 1 | 2 | sodium cacodylate | ||
| 8 | 1 | 2 | H2O |
