3FL6
Influence of the incorporation of a cyclohexenyl nucleic acid (CeNA) residue onto the sequence d(GCGTGCG)/d(CGCACGC)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2008-04-25 |
| Detector | PSI PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 25.720, 33.570, 81.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.860 - 1.170 |
| R-factor | 0.145 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.036 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.19) |
| Phasing software | SHELX |
| Refinement software | SHELX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.860 | 1.230 |
| High resolution limit [Å] | 1.170 | 1.170 |
| Rmerge | 0.094 | 0.520 |
| Number of reflections | 24411 | |
| <I/σ(I)> | 3.735 | 1.3 |
| Completeness [%] | 99.6 | 98.8 |
| Redundancy | 5.5 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 289 | 10%(v/v) 2-methyl-2,4-pentanediol (MPD), 20mM cobalt hexamine, 40mM potassium cacodylate buffered at pH=5.5, and 80/12mM KCl/NaCl, vapor diffusion, hanging drop, temperature 289K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MPD | ||
| 2 | 1 | 1 | cobalt hexamine | ||
| 3 | 1 | 1 | potassium cacodylate | ||
| 4 | 1 | 1 | KCl/NaCl | ||
| 5 | 1 | 2 | MPD | ||
| 6 | 1 | 2 | cobalt hexamine | ||
| 7 | 1 | 2 | potassium cacodylate | ||
| 8 | 1 | 2 | KCl/NaCl |
