1Z7I
2'-Me-Se Derivitation of A-DNA Octamer G(UMSe)GTACAC
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 273 |
| Detector technology | CCD |
| Collection date | 2004-02-13 |
| Detector | BRANDEIS - B4 |
| Wavelength(s) | 0.979, 0.9794, 0.940, 0.920 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 42.076, 42.076, 23.935 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.810 - 1.280 |
| R-factor | 0.177 |
| Rwork | 0.177 |
| R-free | 0.20000 |
| Structure solution method | MAD, MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.800 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.300 |
| High resolution limit [Å] | 1.280 | 1.280 |
| Rmerge | 0.080 | |
| Number of reflections | 6029 | |
| <I/σ(I)> | 14.8 | |
| Completeness [%] | 95.3 | 70 |
| Redundancy | 12.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 10% v/v MPD, 40 mM Sodium Cacodylate (pH 6.0), 12 mM Spermine tetra-HCl, 80 mM Sodium Chloride, 20 mM Magnesium Chloride, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MPD | ||
| 10 | 1 | 2 | Magnesium Chloride | ||
| 2 | 1 | 1 | Sodium Cacodylate | ||
| 3 | 1 | 1 | Spermine tetra-HCl | ||
| 4 | 1 | 1 | Sodium Chloride | ||
| 5 | 1 | 1 | Magnesium Chloride | ||
| 6 | 1 | 1 | H2O | ||
| 7 | 1 | 2 | MPD | ||
| 8 | 1 | 2 | Sodium Cacodylate | ||
| 9 | 1 | 2 | Sodium Chloride |
