368D
STRUCTURAL VARIABILITY OF A-DNA IN CRYSTALS OF THE OCTAMER D(PCPCPCPGPCPGPGPG)
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 293 |
Detector technology | IMAGE PLATE |
Collection date | 1996-01-01 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 21.840, 35.400, 41.170 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 1.600 |
R-factor | 0.169 |
Rwork | 0.169 |
R-free | 0.21700 |
RMSD bond length | 0.009 |
RMSD bond angle | 11.000 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.068 | 0.210 |
Number of reflections | 4262 | |
<I/σ(I)> | 7.5 | |
Completeness [%] | 94.8 | 91.2 |
Redundancy | 5.267 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 6 | pH 6.00 |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | WATER | ||
2 | 1 | 1 | SPERMINE | ||
3 | 1 | 1 | NACL | ||
4 | 1 | 1 | MPD |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | Na-cacodylate | 25 (mM) | |
2 | 1 | drop | duplex | 0.25 (mM) | |
3 | 1 | drop | spermine | 3.0 (mM) | |
4 | 1 | drop | 200 (mM) | ||
5 | 1 | reservoir | MPD | 36.6 (%) |