3GAO
Crystal structure of the guanine riboswitch bound to xanthine.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-11-29 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 131.351, 35.099, 42.248 |
| Unit cell angles | 90.00, 90.38, 90.00 |
Refinement procedure
| Resolution | 19.490 - 1.900 |
| R-factor | 0.21 |
| Rwork | 0.210 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1U8D |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.100 |
| Data reduction software | d*TREK |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.500 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 14909 | |
| <I/σ(I)> | 10.9 | 4.4 |
| Completeness [%] | 96.4 | |
| Redundancy | 3.13 | 2.53 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 200 mM ammonium acetate, 20 % PEG 2K, 12 mM cobalt hexammine, 10 mM K+ HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Ammonium acetate | ||
| 2 | 1 | 1 | PEG2000 | ||
| 3 | 1 | 1 | Cobalt hexammine | ||
| 4 | 1 | 1 | K+ HEPES | ||
| 5 | 1 | 2 | Ammonium acetate | ||
| 6 | 1 | 2 | PEG2000 | ||
| 7 | 1 | 2 | Cobalt hexammine | ||
| 8 | 1 | 2 | K+ HEPES |
