3R1D
Crystal structure of GC(8BrG)GCGGCGGC duplex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-03-22 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8126 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 118.565, 28.612, 61.833 |
| Unit cell angles | 90.00, 117.98, 90.00 |
Refinement procedure
| Resolution | 19.967 - 1.450 |
| R-factor | 0.2329 |
| Rwork | 0.232 |
| R-free | 0.27020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.282 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.470 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Number of reflections | 32941 | |
| <I/σ(I)> | 10 | |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 7.5 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 292 | 10 mM MgCl2, cacodylate, 1.0 M Li2SO4, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
