3FU2
Cocrystal structure of a class-I preQ1 riboswitch
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 78.208, 78.208, 85.220 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.850 |
| Rwork | 0.214 |
| R-free | 0.26690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.053 |
| RMSD bond angle | 1.320 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.950 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.126 | 0.460 |
| Number of reflections | 7147 | |
| <I/σ(I)> | 3.4 | |
| Completeness [%] | 96.8 | 68.3 |
| Redundancy | 11.3 | 9.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 296 | 25% PEG 550 MME, 50 mM CaCl2, 100 mM Hepes-KOH pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 296K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 550 MME | ||
| 2 | 1 | 1 | CaCl2 | ||
| 3 | 1 | 1 | Hepes-KOH | ||
| 4 | 1 | 2 | PEG 550 MME | ||
| 5 | 1 | 2 | CaCl2 | ||
| 6 | 1 | Hepes-KOH |
