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 |