3V07
Crystal structure of R-6'-Me-3'-fluoro hexitol nucleic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-01 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 27.302, 43.481, 45.530 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.450 - 1.240 |
| R-factor | 0.16169 |
| Rwork | 0.159 |
| R-free | 0.20723 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ey2 |
| RMSD bond length | 0.036 |
| RMSD bond angle | 2.608 |
| 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] | 31.450 | 1.270 |
| High resolution limit [Å] | 1.240 | 1.240 |
| Rmerge | 0.050 | |
| Number of reflections | 15617 | |
| <I/σ(I)> | 47 | |
| Completeness [%] | 97.9 | 88.1 |
| Redundancy | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | 40 mM sodium cacodylate, 80 mM sodium chloride, 12 mM spermine tetrahydrochloride, 10% v/v MPD, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
