3LTR
5-OMe-dU containing 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 | 2009-07-15 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 42.992, 42.992, 23.822 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.400 - 1.300 |
R-factor | 0.2026 |
Rwork | 0.202 |
R-free | 0.22240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dns |
RMSD bond length | 0.006 |
RMSD bond angle | 1.251 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.350 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.060 | 0.381 |
Number of reflections | 5389 | |
<I/σ(I)> | 36.7 | 2 |
Completeness [%] | 91.0 | 58.1 |
Redundancy | 21.5 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 10% v / v MPD, 40 mM Na Cacodylate pH 6.0,12 mM Spermine tetra-HCl, 80 mM Sodium Chloride, 20 mM Magnesium Chloride, VAPOR DIFFUSION, HANGING DROP, temperature 293K |