3K18
Tellurium modified DNA-8mer
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 99 |
Detector technology | CCD |
Collection date | 2008-04-12 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 42.695, 42.695, 24.213 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.890 - 1.500 |
R-factor | 0.20239 |
Rwork | 0.201 |
R-free | 0.22323 |
Structure solution method | SIRAS |
RMSD bond length | 0.011 |
RMSD bond angle | 1.841 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | SHELXS |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 18.890 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.075 | 0.427 |
Number of reflections | 3659 | |
<I/σ(I)> | 15 | 2.4 |
Completeness [%] | 94.4 | 74.9 |
Redundancy | 8.63 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | MPD,sodium cacodylate,spermine tetra-HCl, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |