4E60
Interactions of Ba2+ with a non-self-complementary Z-type DNA duplex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-09-08 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 65 |
Unit cell lengths | 35.177, 35.177, 44.341 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.110 - 1.860 |
R-factor | 0.21601 |
Rwork | 0.215 |
R-free | 0.23147 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | fiber model of Z-type DNA built using the program InsightII |
RMSD bond length | 0.030 |
RMSD bond angle | 3.490 |
Data reduction software | AUTOMAR |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.930 |
High resolution limit [Å] | 1.860 | 1.860 |
Rmerge | 0.111 | 0.172 |
Number of reflections | 2650 | |
<I/σ(I)> | 4.6 | 2.2 |
Completeness [%] | 99.8 | 100 |
Redundancy | 6.49 | 6.67 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | drop: 1mM DNA, 50mM sodium cacodylate trihydrate buffer (pH 7.0), 1mM barium dichloride dihydrate, 0.5mM spermine, reservoir: 30% 2-methyl-2,4-pentanediol (MPD), VAPOR DIFFUSION, HANGING DROP, temperature 293K |