4DY8
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 | 2008-09-28 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 65 |
Unit cell lengths | 35.213, 35.213, 44.452 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.150 - 1.760 |
R-factor | 0.22741 |
Rwork | 0.225 |
R-free | 0.26150 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 2.341 |
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 | 1.820 |
High resolution limit [Å] | 1.760 | 1.760 |
Rmerge | 0.110 | 0.340 |
Number of reflections | 3133 | |
<I/σ(I)> | 4.17 | 1.1 |
Completeness [%] | 97.4 | 100 |
Redundancy | 3.86 | 3.98 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 50% methyl pentane diol, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 7.0 |