4RIP
BromoUracil substituted structure of intercalation-locked DNA tetraplex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-06-12 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9198 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 26.400, 26.400, 166.452 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 55.000 - 2.100 |
| R-factor | 0.2328 |
| Rwork | 0.232 |
| R-free | 0.23850 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.659 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHELXS |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.484 | 2.140 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.063 | 0.196 |
| Number of reflections | 2699 | |
| <I/σ(I)> | 2.9 | 3.6 |
| Completeness [%] | 99.0 | 99.8 |
| Redundancy | 9.5 | 9.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 300 | 100 mM MgCl2, 5% PEG400, 30 mM sodium cacodylate, pH 7.4, 8mM cobalt hexamine, VAPOR DIFFUSION, SITTING DROP, temperature 300K |
