1D7Z
CRYSTAL STRUCTURE OF A HEXITOL NUCLEIC ACID (HNA) DUPLEX AT 2.2 A RESOLUTION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-04-11 |
| Detector | MARRESEARCH |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 36.364, 36.364, 69.121 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 * - 2.210 |
| R-factor | 0.233 |
| Rwork | 0.233 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 0.022 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | GLRF |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.250 |
| High resolution limit [Å] | 2.210 | 2.210 |
| Rmerge | 0.051 | 0.168 |
| Number of reflections | 1344 | |
| <I/σ(I)> | 38.8 | |
| Completeness [%] | 83.8 | 74.1 |
| Redundancy | 16.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | CACODYLATE BUFFER, KCL, BACL2, SPERMINE TETRACHLORIDE AND MPD, pH 7.0, VAPOR DIFFUSION, HANGING DROP at 277K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | CACODYLATE BUFFER | ||
| 2 | 1 | 1 | SPERMINE | ||
| 3 | 1 | 1 | KCL | ||
| 4 | 1 | 1 | BACL2 | ||
| 5 | 1 | 1 | MPD | ||
| 6 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | oligomer solution | 2.4 (mM) | |
| 2 | 1 | drop | MPD | 10 (%(v/v)) | |
| 3 | 1 | drop | spermine hydrochloride | 12 (mM) | |
| 4 | 1 | drop | 80 (mM) | ||
| 5 | 1 | drop | 20 (mM) | ||
| 6 | 1 | drop | cacodylate | 40 (mM) | pH7.0 |
| 7 | 1 | reservoir | MPD | 35 (%(v/v)) |
