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 |