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 |