3E5C
Crystal Structure of the SMK box (SAM-III) Riboswitch with SAM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 97.806, 97.806, 87.138 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.900 - 2.250 |
| R-factor | 0.221 |
| Rwork | 0.221 |
| R-free | 0.22700 |
| Structure solution method | SAD+MR |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.700 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.350 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.069 | 0.370 |
| Number of reflections | 9607 | |
| <I/σ(I)> | 24.7 | 1.6 |
| Completeness [%] | 93.3 | 74 |
| Redundancy | 9.8 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 40 mM sodium cacodylate, 80 mM SrCl, 15% MPD, 2 mM spermine-HCl, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 40 mM sodium cacodylate, 80 mM SrCl, 15% MPD, 2 mM spermine-HCl, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | sodium cacodylate | ||
| 2 | 1 | 1 | SrCl | ||
| 3 | 1 | 1 | MPD | ||
| 4 | 1 | 1 | spermine-HCl | ||
| 5 | 1 | 2 | sodium cacodylate | ||
| 6 | 1 | 2 | SrCl | ||
| 7 | 1 | 2 | MPD |
