3KQ8
5-Te-uridine derivatized 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 | 2009-11-14 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.54 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 42.242, 42.242, 23.929 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.870 - 1.600 |
R-factor | 0.18864 |
Rwork | 0.186 |
R-free | 0.22911 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.531 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXS |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.074 | 0.186 |
Number of reflections | 3122 | |
<I/σ(I)> | 49.77 | 15.5 |
Completeness [%] | 99.2 | 93.4 |
Redundancy | 22.5 | 7.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 10% v / v MPD, 40 mM Na Cacodylate pH 7.0, 12 mM Spermine tetra-HCl, 80 mM Potassium Chloride and 20 mM Magnesium Chloride, VAPOR DIFFUSION, HANGING DROP, temperature 293K |