3HHN
Crystal structure of class I ligase ribozyme self-ligation product, in complex with U1A RBD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 8-BM |
Synchrotron site | APS |
Beamline | 8-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-07-22 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9792 |
Spacegroup name | P 1 |
Unit cell lengths | 59.561, 70.412, 70.906 |
Unit cell angles | 100.29, 99.61, 103.89 |
Refinement procedure
Resolution | 40.121 - 2.987 |
R-factor | 0.202 |
Rwork | 0.202 |
R-free | 0.23400 |
Structure solution method | SIRAS |
RMSD bond length | 0.002 |
RMSD bond angle | 0.797 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELXD |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.110 |
High resolution limit [Å] | 2.987 | 6.460 | 2.987 |
Rmerge | 0.069 | 0.033 | 0.311 |
Number of reflections | 21075 | ||
<I/σ(I)> | 28.185 | ||
Completeness [%] | 97.0 | 95 | 93.9 |
Redundancy | 3.7 | 3.7 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 50mM Sodium cacodylate pH 6.0, 40mM Magnesium acetate, 26% 2-methyl-2,4-pentane diol (MPD), 1mM Spermine HCl. Diffraction-quality crystals grown by microseeding., VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | Sodium cacodylate | ||
2 | 1 | 1 | Magnesium acetate | ||
3 | 1 | 1 | MPD | ||
4 | 1 | 1 | Spermine HCl | ||
5 | 1 | 2 | Sodium cacodylate | ||
6 | 1 | 2 | Magnesium acetate | ||
7 | 1 | 2 | MPD | ||
8 | 1 | 2 | Spermine HCl |