392D
STRUCTURAL VARIABILITY AND NEW INTERMOLECULAR INTERACTIONS OF Z-DNA IN CRYSTALS OF D(PCPGPCPGPCPG)
Experimental procedure
Source type | SEALED TUBE |
Source details | OTHER |
Temperature [K] | 290 |
Detector technology | DIFFRACTOMETER |
Collection date | 1988-01-01 |
Detector | SYNTEX P21 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 45.800, 37.300, 70.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 3.000 |
R-factor | 0.182 |
Rwork | 0.182 |
R-free | 0.24500 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.570 |
Data reduction software | SYNTEX (P21) |
Data scaling software | SYNTEX (P21) |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 35.200 |
High resolution limit [Å] | 3.000 |
Rmerge | 0.080 |
Number of reflections | 1276 |
Completeness [%] | 97.9 |
Redundancy | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | other * | 6 | Malinina, L., (1991) J. Crystal Growth, 110, 252. * |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | WATER | ||
2 | 1 | 1 | MGCL2 | ||
3 | 1 | 1 | SPERMINE TETRACLORIDE | ||
4 | 1 | 1 | NA CACODYLATE | ||
5 | 1 | 1 | 2-METHYL-2,4-PENTANEDIOL | ||
6 | 1 | 2 | WATER | ||
7 | 1 | 2 | 2-METHYL-2,4-PENTANEDIOL |