5HCH
X-ray structure of a lectin-bound DNA duplex containing an unnatural phenanthrenyl pair
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-06-10 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.999950 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 60.451, 60.451, 204.828 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.616 - 2.900 |
R-factor | 0.2302 |
Rwork | 0.227 |
R-free | 0.25740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1oxc |
RMSD bond length | 0.013 |
RMSD bond angle | 2.121 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.620 | 3.080 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.085 | 0.250 |
Number of reflections | 5374 | |
<I/σ(I)> | 20.54 | 6.08 |
Completeness [%] | 98.4 | 90.2 |
Redundancy | 11.4 | 11.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.02 M Sodium acetate trihydrate, 0.1 M TRIS hydrochloride, 30% w/v PEG4000 |