3GNK
Calcium bound to the Holliday junction sequence d(TCGGCGCCGA)4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | OXFORD SAPPHIRE CCD |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 65.970, 24.170, 73.890 |
| Unit cell angles | 90.00, 110.37, 90.00 |
Refinement procedure
| Resolution | 16.347 - 2.100 |
| R-factor | 0.218 |
| Rwork | 0.214 |
| R-free | 0.30600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1l4j |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.285 |
| Data reduction software | CrysalisPro (Red) |
| Phasing software | MOLREP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 16.347 | 2.155 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.062 | 0.194 |
| Number of reflections | 6622 | |
| <I/σ(I)> | 11.44 | 2.35 |
| Completeness [%] | 99.4 | 99.41 |
| Redundancy | 3.9 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 290 | CaCl2, MPD, NaCacodylate , pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 290K, temperature 290.0K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | CaCl2 | ||
| 2 | 1 | 1 | MPD | ||
| 3 | 1 | 1 | Na Cacodylate | ||
| 4 | 1 | 2 | CaCl2 | ||
| 5 | 1 | 2 | MPD | ||
| 6 | 1 | 2 | Na Cacodylate |
