3V9D
Crystal structure of the tetra-decanucleotide d(CCCCGGTACCGGGG)2 as an A-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 | 2011-06-28 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 |
Unit cell lengths | 29.340, 29.340, 87.687 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.340 - 2.500 |
R-factor | 0.21783 |
Rwork | 0.217 |
R-free | 0.24435 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | A-DNA duplex Fiber model (tetra-decanucleotide) built using Insight-II |
RMSD bond length | 0.023 |
RMSD bond angle | 3.216 |
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] | 29.340 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.045 | 0.282 |
Number of reflections | 2599 | |
<I/σ(I)> | 6.6 | 1.5 |
Completeness [%] | 99.7 | 99.6 |
Redundancy | 4.64 | 4.69 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 1mM DNA, 50mM sodium cacodylate trihydrate buffer (pH 7.0), 12mM MnCl2, 10mM spermine, equilibrated against 50 % methyl pentane diol (MPD), VAPOR DIFFUSION, HANGING DROP, temperature 293K |