3DIR
Crystallization of the Thermotoga maritima lysine riboswitch bound to N6-1-iminoethyl-L-Lysine
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 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.805, 78.839, 143.318 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.900 |
R-factor | 0.17966 |
Rwork | 0.178 |
R-free | 0.21132 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dil |
RMSD bond length | 0.007 |
RMSD bond angle | 1.345 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 3.000 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.120 | 0.361 |
Number of reflections | 13631 | 1159 |
<I/σ(I)> | 44.5 | 44.5 |
Completeness [%] | 94.3 | 82.5 |
Redundancy | 5.6 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 293 | 18% PEG 4000, 0.1M Sodium Citrate, 20% isopropanol, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | PEG 4000 | ||
2 | 1 | 1 | Sodium Citrate | ||
3 | 1 | 1 | isopropanol | ||
4 | 1 | 2 | PEG 4000 | ||
5 | 1 | 2 | Sodium Citrate | ||
6 | 1 | 2 | isopropanol |