4E4O
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 | 2010-10-06 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 24.055, 31.011, 31.368 |
| Unit cell angles | 90.00, 102.00, 90.00 |
Refinement procedure
| Resolution | 23.530 - 1.720 |
| R-factor | 0.20373 |
| Rwork | 0.201 |
| R-free | 0.25709 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | fiber model of Z-type DNA built using the program InsightII |
| RMSD bond length | 0.009 |
| RMSD bond angle | 2.396 |
| Data reduction software | AUTOMAR |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.780 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.038 | 0.208 |
| Number of reflections | 4873 | |
| <I/σ(I)> | 9 | 1.9 |
| Completeness [%] | 99.5 | 99.2 |
| Redundancy | 4.71 | 4.68 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | drop: 1mM of duplex DNA, 50mM sodium cacodylate trihydrate buffer (pH 7.0), 12mM barium dichloride dihydrate, 0.5mM spermine, reservoir: 30% 2-methyl-2,4-pentanediol (MPD), VAPOR DIFFUSION, HANGING DROP, temperature 293K |
