4F2X
Structure of 3'-Fluoro Cyclohexenyl Nucleic Acid Heptamer
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 | 2012-02-07 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9787 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 26.700, 33.862, 80.165 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.080 - 1.570 |
| Rwork | 0.185 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fl6 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.823 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.080 | 1.630 |
| High resolution limit [Å] | 1.570 | 1.570 |
| Rmerge | 0.063 | 0.590 |
| Number of reflections | 10592 | |
| <I/σ(I)> | 38.6 | 3.63 |
| Completeness [%] | 99.6 | 99.3 |
| Redundancy | 7.7 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 40 mM sodium cacodylate, 20 mM cobalt hexamine, 20 mM magnesium chloride, 10% v/v MPD, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
