1RRU
The influence of a chiral amino acid on the helical handedness of PNA in solution and in crystals
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-04-16 |
| Detector | RIGAKU RAXIS II |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 36.750, 44.070, 31.220 |
| Unit cell angles | 90.00, 91.51, 90.00 |
Refinement procedure
| Resolution | 6.000 - 2.350 |
| Rwork | 0.219 |
| R-free | 0.29200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pup |
| RMSD bond length | 0.021 |
| RMSD bond angle | 3.500 |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((TRUNCATE)) |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.390 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.060 | 0.316 |
| Number of reflections | 2069 | |
| <I/σ(I)> | 15.9 | 3.2 |
| Completeness [%] | 98.8 | 95.8 |
| Redundancy | 3.4 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | glycerol, magnesium formate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | glycerol | ||
| 2 | 1 | 1 | magnesium formate | ||
| 3 | 1 | 1 | H2O | ||
| 4 | 1 | 2 | magnesium formate | ||
| 5 | 1 | 2 | H2O |
