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 |
