3I2S
Crystal structure of the hairpin ribozyme with a 2'OMe substrate and N1-deazaadenosine at position A10
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 | 2009-01-29 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9700 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 92.830, 92.830, 132.690 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.670 - 2.750 |
| R-factor | 0.239 |
| Rwork | 0.239 |
| R-free | 0.26100 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2oue |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.600 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.850 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.068 | |
| Number of reflections | 9249 | |
| <I/σ(I)> | 52.2 | 3.5 |
| Completeness [%] | 99.3 | 100 |
| Redundancy | 7.1 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293.15 | Well solutions contained 20.5% w/v PEG 2000 MME, 0.10 M Na cacodylate pH 6.5 or 7.0, 0.25 M Li2SO4, 2.5 mM Co(NH3)6Cl3 and 2 mM Spermidine-HCl. Crystals grew as hexagonal rods or plates and reached a size of 0.3 mm x 0.2 mm x 0.2 mm in approximately 3 weeks, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 2000 MME | ||
| 10 | 1 | 2 | Spermidine-HCl | ||
| 2 | 1 | 1 | Na cacodylate | ||
| 3 | 1 | 1 | Li2SO4 | ||
| 4 | 1 | 1 | Co(NH3)6Cl3 | ||
| 5 | 1 | 1 | Spermidine-HCl | ||
| 6 | 1 | 2 | PEG 2000 MME | ||
| 7 | 1 | 2 | Na cacodylate | ||
| 8 | 1 | 2 | Li2SO4 | ||
| 9 | 1 | 2 | Co(NH3)6Cl3 |
