5EAO
Two active site divalent ion in the crystal structure of the hammerhead ribozyme bound to a transition state analog-Mg2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-11-17 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 79.974, 87.016, 105.370 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.355 - 2.988 |
| R-factor | 0.2323 |
| Rwork | 0.228 |
| R-free | 0.26980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5di2 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.993 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX ((1.10_2155)) |
| Refinement software | PHENIX ((1.10_2155)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.050 |
| High resolution limit [Å] | 2.988 | 2.988 |
| Rmerge | 0.142 | 0.555 |
| Number of reflections | 14333 | |
| <I/σ(I)> | 51.6 | 5.7 |
| Completeness [%] | 94.7 | 97.8 |
| Redundancy | 12.5 | 12.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 273 | 50 mM Tris pH 8.2, 10 mM MgCl2, 2 mM NH4VO3, 32% MPD, 0.9 M KCl, 0.5 mM spermine |
