4NFQ
Crystal Structure Analysis of the 16mer GCAGNCUUAAGUCUGC containing 7-triazolyl-8-aza-7-deazaadenosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-04-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.127 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 77.360, 44.380, 48.830 |
| Unit cell angles | 90.00, 121.97, 90.00 |
Refinement procedure
| Resolution | 36.790 - 1.700 |
| R-factor | 0.22383 |
| Rwork | 0.223 |
| R-free | 0.24351 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.503 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.790 | 1.740 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.025 | 0.314 |
| Number of reflections | 14671 | |
| <I/σ(I)> | 16.42 | 2.27 |
| Completeness [%] | 93.7 | 88.6 |
| Redundancy | 1.88 | 1.69 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 294.15 | 10% MPD(v/v) (Drop), 20% MPD(v/v) (reservoir), 40mM Na-cacodylate trihydrate (pH 7), 12mM spermine tetrahydrochloride, 80mM KCl, 10mM MgCl2 hexahydrate , VAPOR DIFFUSION, SITTING DROP, temperature 294.15K |
