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 |
