2XC6
Crystal structure of the GNA 3'-CTC(Br)UAGAG-2'
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-11-24 |
Detector | ADSC CCD |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 56.930, 56.930, 28.970 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 1.830 |
R-factor | 0.23697 |
Rwork | 0.234 |
R-free | 0.27060 |
Structure solution method | MAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.011 |
RMSD bond angle | 1.715 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELXE |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.880 | 1.930 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmerge | 0.050 | 0.570 |
Number of reflections | 2242 | |
<I/σ(I)> | 32.2 | 8.9 |
Completeness [%] | 99.0 | 98.3 |
Redundancy | 17.4 | 17.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 10 % MPD, 40 MM SODIUM CACODYLATE, PH 5.5, 20 MM COBALT HEXAMINE, 40 MM LICL, 20 MM MGCL2 |