5DH6
Two divalent metal ions and conformational changes play roles in the hammerhead ribozyme cleavage reaction-G12A mutant in Mg2+
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 | 2014-11-14 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.976 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 81.405, 85.964, 102.969 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.407 - 2.784 |
| R-factor | 0.2139 |
| Rwork | 0.211 |
| R-free | 0.24160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.470 |
| 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 | 2.850 |
| High resolution limit [Å] | 2.784 | 2.784 |
| Rmerge | 0.078 | 0.655 |
| Number of reflections | 9318 | |
| <I/σ(I)> | 61.7 | 6.3 |
| Completeness [%] | 99.5 | 96.7 |
| Redundancy | 14.3 | 15 |
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, 10 mM MgCl2, pH 5.0, and 0.5mM spermine |
