3V06
Crystal structure of S-6'-Me-3'-fluoro hexitol nucleic acid
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 | 2010-07-01 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9787 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 24.879, 45.222, 46.598 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.450 - 1.530 |
| R-factor | 0.16997 |
| Rwork | 0.167 |
| R-free | 0.22693 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ey2 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.493 |
| 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] | 32.450 | 1.570 |
| High resolution limit [Å] | 1.530 | 1.530 |
| Rmerge | 0.070 | 0.446 |
| Number of reflections | 8157 | |
| <I/σ(I)> | 46.3 | 5.7 |
| Completeness [%] | 98.7 | 70.2 |
| Redundancy | 8.4 | 8.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 40 mM sodium cacodylate, 40 mM lithium chloride, 80 mM strontium chloride, 20 mM magnesium chloride, 12 mM spermine tetrahydrochloride, 10% v/v MPD, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
