5DI2
Two divalent metal ions and conformational changes play roles in the hammerhead ribozyme cleavage reaction-WT ribozyme in Mn2+ at high pH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-12 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.5011 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 79.625, 85.815, 103.753 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.812 - 2.989 |
| R-factor | 0.2245 |
| Rwork | 0.221 |
| R-free | 0.25940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.001 |
| RMSD bond angle | 0.372 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.050 |
| High resolution limit [Å] | 2.989 | 2.989 |
| Rmerge | 0.089 | 0.337 |
| Number of reflections | 13895 | |
| <I/σ(I)> | 34.4 | 14.1 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 13.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 33 % MPD, 0.4 M potassium chloride, 50 mM potassium acetate pH 5.0, 10 mM MgCl2, and 0.5mM spermine |
