3R1E
Crystal structure of GC(8BrG)GCGGC 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 | 2005-03-21 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8126 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 50.666, 22.538, 44.183 |
| Unit cell angles | 90.00, 117.82, 90.00 |
Refinement procedure
| Resolution | 16.410 - 0.972 |
| R-factor | 0.13664 |
| Rwork | 0.137 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.746 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXS |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 0.990 |
| High resolution limit [Å] | 0.970 | 0.970 |
| Number of reflections | 24974 | |
| <I/σ(I)> | 9 | 2.5 |
| Completeness [%] | 95.7 | 93.4 |
| Redundancy | 5.4 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 292 | 10 mM CaCl2, 0.2 M NH4Cl, Tris-HCl, 30% w/v PEG 4000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
