3IXN
Crystal structure of d(CCGGTACCGG) as B-DNA duplex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-06-26 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.54 |
Spacegroup name | P 61 |
Unit cell lengths | 32.940, 32.940, 94.854 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.530 - 2.870 |
R-factor | 0.26212 |
Rwork | 0.261 |
R-free | 0.27469 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Fiber model built in INSIGHTII software |
RMSD bond length | 0.025 |
RMSD bond angle | 3.964 |
Data reduction software | AUTOMAR |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.970 |
High resolution limit [Å] | 2.870 | 2.870 |
Rmerge | 0.094 | 0.286 |
Number of reflections | 1365 | |
<I/σ(I)> | 6.2 | 1.2 |
Completeness [%] | 99.4 | 97.8 |
Redundancy | 10.1 | 10.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 5mM CoCl2, 1mM spermine, 50% MPD, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |