3LTU
5-SeMe-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 | 2009-10-10 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 43.078, 43.078, 23.814 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.460 - 1.400 |
R-factor | 0.17584 |
Rwork | 0.175 |
R-free | 0.20041 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dns |
RMSD bond length | 0.004 |
RMSD bond angle | 1.108 |
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 | 1.450 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.087 | 0.136 |
Number of reflections | 4661 | |
<I/σ(I)> | 18.9 | 14.5 |
Completeness [%] | 97.8 | 99.3 |
Redundancy | 23 | 11.1 |
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 |