4HQH
Decamer Fluoro Carbocyclic LNA (R-F-cLNA) crystal structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-14 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0079 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 26.115, 43.859, 45.787 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.670 - 1.800 |
| R-factor | 0.20165 |
| Rwork | 0.198 |
| R-free | 0.24609 |
| Structure solution method | MOL REP CCP4 |
| Starting model (for MR) | PDB ID 3EY2 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.697 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.670 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.043 | 0.310 |
| Number of reflections | 4674 | |
| <I/σ(I)> | 35.35 | 4.4 |
| Completeness [%] | 97.3 | 75.5 |
| Redundancy | 6 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 20 mM sodium cacodylate, pH 7.0, 40 mM potassium chloride, 6 mM Sodium Chloride, 6 mM spermine tetrahydrochloride, and 5% v/v 2-Methyl-2,4-pentanediol (MPD), VAPOR DIFFUSION, HANGING DROP, temperature 291K |
