2WNA
Crystal structure of the GNA 3'-G(Br)CGCGC-2'
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-25 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 20.420, 42.000, 28.670 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 0.970 |
| R-factor | 0.10648 |
| Rwork | 0.105 |
| R-free | 0.12726 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.006 |
| RMSD bond angle | 3.530 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELXE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.000 | 1.020 |
| High resolution limit [Å] | 0.960 | 0.960 |
| Rmerge | 0.060 | 0.130 |
| Number of reflections | 30224 | |
| <I/σ(I)> | 17.7 | 7.2 |
| Completeness [%] | 98.2 | 0.9 |
| Redundancy | 3.99 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | DROP: 2 MM G(BR)CGCGC, 10% 2-METHYL-2,4-PENTANEDIOL, 40 MM SODIUM CACODYLATE (PH 5.5), 20 MM COBALT HEXAMINE, 80 MM SODIUM CHLORIDE, 20 MM MAGNESIUM CHLORIDE RESERVOIR: 35 % MPD |
