3Q61
3'-Fluoro Hexitol Nucleic Acid DNA Structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-12 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9787 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 28.014, 43.134, 45.507 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.310 - 1.560 |
| R-factor | 0.16608 |
| Rwork | 0.164 |
| R-free | 0.20887 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ey2 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.117 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.310 | 1.620 |
| High resolution limit [Å] | 1.560 | 1.560 |
| Rmerge | 0.086 | 0.240 |
| Number of reflections | 7849 | |
| <I/σ(I)> | 40.5 | 11.3 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 6.1 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 20 mM sodium cacodylate, 6 mM sodium chloride, 40 mM potassium chloride, 6 mM spermine tetrahydrochloride, 5% v/v MPD, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
