1I7J
CRYSTAL STRUCTURE OF 2'-O-ME(CGCGCG)2: AN RNA DUPLEX AT 1.19 A RESOLUTION. 2-METHYL-2,4-PENTANEDIOL AND MAGNESIUM BINDING.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7A |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-10-03 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.900 |
| Spacegroup name | P 32 1 2 |
| Unit cell lengths | 24.805, 24.805, 77.372 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.190 |
| R-factor | 0.155 |
| Rwork | 0.155 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 310D |
| RMSD bond length | 0.014 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.210 |
| High resolution limit [Å] | 1.190 | 1.190 |
| Rmerge | 0.049 | 0.460 |
| Total number of observations | 150605 * | |
| Number of reflections | 8715 | |
| <I/σ(I)> | 23 | 2.1 |
| Completeness [%] | 95.8 | 94 |
| Redundancy | 17 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 20 * | 15 mM MgCl2, 1 mM spermine tetrahydrochloride and 30-40% 2-methyl-2,4-pentanediol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MgCl2 | ||
| 2 | 1 | 1 | spermine tetrahydrochloride | ||
| 3 | 1 | 1 | MPD | ||
| 4 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | RNA | 5 (mg/ml) | |
| 2 | 1 | reservoir | HEPES | 50 (mM) | |
| 3 | 1 | reservoir | 15 (mM) | ||
| 4 | 1 | reservoir | spermine tetrahydrochloride | 1 (mM) | |
| 5 | 1 | reservoir | (R,S)MPD | 30-40 (%) |
