3D0M
X-ray structures of the (GUGGUCUGAUGAGGCC) RNA duplex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-01-26 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8020 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 46.653, 46.653, 126.397 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| Rwork | 0.295 |
| R-free | 0.36100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | another crystal form (pdb id 3czw) |
| RMSD bond length | 0.020 |
| RMSD bond angle | 3.978 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 3434 | |
| <I/σ(I)> | 37 | 4.7 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 10.6 | 8.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 1.7 M ammonium sulphate, 50 mM cacodylate buffer, 15 mM magnesium acetate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | (NH4)2SO4 | ||
| 2 | 1 | 1 | magnesium acetate | ||
| 3 | 1 | 1 | cacodylate | ||
| 4 | 1 | 2 | (NH4)2SO4 | ||
| 5 | 1 | 2 | magnesium acetate |
