1QPY
CRYSTAL STRUCTURE OF BACKBONE MODIFIED PNA HEXAMER
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-06-12 |
| Detector | RIGAKU RAXIS II |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.950, 31.140, 50.390 |
| Unit cell angles | 90.00, 110.85, 90.00 |
Refinement procedure
| Resolution | 6.000 - 2.200 |
| R-factor | 0.214 |
| Rwork | 0.214 |
| R-free | 0.29400 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 3.688 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.075 | 0.300 |
| Number of reflections | 6794 | |
| <I/σ(I)> | 6.6 | |
| Completeness [%] | 92.0 | 93 |
| Redundancy | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | MGCL2, TRIS, HEXANEDIOL, ETHANOL, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 20K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MGCL2 | ||
| 2 | 1 | 1 | TRIS | ||
| 3 | 1 | 1 | HEXANEDIOL | ||
| 4 | 1 | 1 | ETHANOL | ||
| 5 | 1 | 2 | MGCL2 | ||
| 6 | 1 | 2 | HEXANEDIOL | ||
| 7 | 1 | 2 | ETHANOL |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | 0.4 (M) | ||
| 2 | 1 | reservoir | ethanol | 5 (%) | |
| 3 | 1 | reservoir | Tris-HCl | 0.075 (M) | |
| 4 | 1 | reservoir | hexane-1,6-diol | 3.0 (M) |
