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 |
