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 |