3F8O
Structure of d(CACGCG).d(CGCGTG) with low concentration of PdCl2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-05-05 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 17.785, 30.941, 44.789 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.460 - 1.720 |
| R-factor | 0.21906 |
| Rwork | 0.218 |
| R-free | 0.23992 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Fiber model of Z-DNA built using insightII |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.039 |
| Data reduction software | AUTOMAR |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.500 | 1.780 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.063 | 0.330 |
| Number of reflections | 2809 | |
| <I/σ(I)> | 5.7 | 1.8 |
| Completeness [%] | 97.9 | 96.2 |
| Redundancy | 4.27 | 4.24 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 293 | 50mM Sodium Cacodylate, 0.1mM PdCl2, 1.0mM spermine, 40% (v/v) MPD, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MPD | ||
| 2 | 1 | 1 | sodium cacodylate | ||
| 3 | 1 | 1 | PdCl2 | ||
| 4 | 1 | 1 | spermine | ||
| 5 | 1 | 1 | H2O | ||
| 6 | 1 | 2 | MPD | ||
| 7 | 1 | 2 | sodium cacodylate | ||
| 8 | 1 | 2 | PdCl2 | ||
| 9 | 1 | 2 | H2O |
