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 |