4DWY
Interactions of Mn2+ 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 | 2010-08-10 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 24.484, 31.128, 31.675 |
Unit cell angles | 90.00, 103.33, 90.00 |
Refinement procedure
Resolution | 14.560 - 1.610 |
R-factor | 0.20286 |
Rwork | 0.200 |
R-free | 0.26689 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.021 |
RMSD bond angle | 2.887 |
Data reduction software | AUTOMAR |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 1.660 |
High resolution limit [Å] | 1.610 | 1.610 |
Rmerge | 0.049 | 0.218 |
Number of reflections | 6021 | |
<I/σ(I)> | 8.4 | 2.2 |
Completeness [%] | 97.6 | 81.7 |
Redundancy | 4.43 | 4.35 |
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), 10mM MnCl2, 1mM spermine, VAPOR DIFFUSION, HANGING DROP, temperature 293K |