2GB9
d(CGTACG)2 crosslinked bis-acridine complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-09-02 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.769 |
| Spacegroup name | P 43 2 2 |
| Unit cell lengths | 37.210, 37.210, 53.480 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.700 |
| Rwork | 0.213 |
| R-free | 0.25440 |
| Structure solution method | SAD |
| RMSD bond length | 0.026 |
| RMSD bond angle | 0.021 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | HKL2Map |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.200 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.064 | 0.204 |
| Number of reflections | 4509 | |
| <I/σ(I)> | 4.2 | 3.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 26.8 | 27.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | SODIUM CACODYLATE pH7.0, SrCl2, SPERMINE, MPD, SITTING DROP VAPOUR DIFFUSION AT 291K, VAPOR DIFFUSION, SITTING DROP |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | SODIUM CACODYLATE | ||
| 2 | 1 | 1 | SrCl2 | ||
| 3 | 1 | 1 | SPERMINE | ||
| 4 | 1 | 1 | MPD | ||
| 5 | 1 | 1 | H2O | ||
| 6 | 1 | 2 | SODIUM CACODYLATE | ||
| 7 | 1 | 2 | SrCl2 | ||
| 8 | 1 | 2 | MPD |
