1O55
MOLECULAR STRUCTURE OF TWO CRYSTAL FORMS OF CYCLIC TRIADENYLIC ACID AT 1 ANGSTROM RESOLUTION
Replaces: 415DExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 123 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-12-29 |
| Detector | RIGAKU |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 22.637, 22.637, 44.581 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 1.040 |
| R-factor | 0.138 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 0.031 |
| Data reduction software | bioteX |
| Data scaling software | bioteX |
| Phasing software | SHELXS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 10.000 |
| High resolution limit [Å] | 1.040 |
| Rmerge | 0.044 |
| Number of reflections | 2198 |
| Completeness [%] | 95.4 |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | pH 4.50, VAPOR DIFFUSION, HANGING DROP, temperature 298.00K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | COCL3 | ||
| 2 | 1 | 1 | GLYCINE | ||
| 3 | 1 | 1 | MPD | ||
| 4 | 1 | 2 | MPD |
