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 |
