3E5E
Crystal Structures of the SMK box (SAM-III) Riboswitch with SAH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-E |
| Synchrotron site | APS |
| Beamline | 21-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 | 98.418, 98.418, 86.393 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.810 - 2.900 |
| R-factor | 0.222 |
| Rwork | 0.222 |
| R-free | 0.25900 |
| Starting model (for MR) | 3e5c Without SAM or ion or water |
| RMSD bond length | 0.753 |
| RMSD bond angle | 1.500 |
| 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 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.093 | 0.160 |
| Number of reflections | 5258 | |
| <I/σ(I)> | 21 | 6.2 |
| Completeness [%] | 87.2 | 90 |
| Redundancy | 7.5 | 5.6 |
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 |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | sodium cacodylate | ||
| 2 | 1 | 1 | MPD | ||
| 3 | 1 | 1 | SrCl | ||
| 4 | 1 | 1 | spermine-HCl | ||
| 5 | 1 | 2 | sodium cacodylate | ||
| 6 | 1 | 2 | MPD | ||
| 7 | 1 | 2 | SrCl |
