2GW0
A D(TGGGGT)- sodium and calcium complex.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 117 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-12-11 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 1 |
| Unit cell lengths | 27.357, 27.911, 34.969 |
| Unit cell angles | 89.11, 75.63, 79.70 |
Refinement procedure
| Resolution | 8.000 - 1.550 |
| R-factor | 0.174 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | THE FIRST QUADRUPLEX MOLECULE OF NDB ENTRY CODE UDF062 OR PDB ENTRY CODE 352D WITH THYMINES REMOVED. |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.028 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.061 | 0.200 |
| Number of reflections | 12464 | |
| <I/σ(I)> | 27.28 | 8.62 |
| Completeness [%] | 87.1 | 80 |
| Redundancy | 2.85 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 277 | CALCIUM CHLORIDE, DNA, DISTAMYCIN A, SODIUM CHLORIDE, MPD, SPERMINE TETRAHYDROCHLORIDE, SODIUM CACODYLATE BUFFER, VAPOR DIFFUSION, HANGING DROP, temperature 277K, pH 6.50 |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | CALCIUM CHLORIDE | ||
| 10 | 1 | 2 | MPD | ||
| 2 | 1 | 1 | SODIUM CHLORIDE | ||
| 3 | 1 | 1 | MPD | ||
| 4 | 1 | 1 | SPERMINE TETRAHYDROCHLORIDE | ||
| 5 | 1 | 1 | SODIUM CACODYLATE | ||
| 6 | 1 | 1 | H2O | ||
| 7 | 1 | 2 | CALCIUM CHLORIDE | ||
| 8 | 1 | 2 | SODIUM CHLORIDE | ||
| 9 | 1 | 2 | SODIUM CACODYLATE |
