5EAQ
Two active site divalent ion in the crystal structure of the hammerhead ribozyme bound to a transition state analog-Mn2+
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 | 2014-11-17 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.501 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 81.251, 87.419, 105.539 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.429 - 3.201 |
R-factor | 0.2499 |
Rwork | 0.247 |
R-free | 0.27770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5di2 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.251 |
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 | 3.000 |
High resolution limit [Å] | 2.950 | 2.950 |
Rmerge | 0.196 | 0.636 |
Number of reflections | 12773 | |
<I/σ(I)> | 139.7 | 19.4 |
Completeness [%] | 99.4 | 97.2 |
Redundancy | 6.3 | 5 |
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, 32% MPD, 0.9 M KCl, 0.5 mM spermine 2 mM NH4VO3 |