2ADW
Crystal structure of Echinomycin-(ACGTACGT)2 solved by SAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-11-12 |
| Detector | MARRESEARCH |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 80.904, 80.904, 48.194 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.600 |
| R-factor | 0.18 |
| R-free | 0.22100 |
| Structure solution method | AB INITIO |
| Data reduction software | HKL-2000 |
| Data scaling software | XDS |
| Phasing software | SHELXD |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.072 | 0.394 |
| Number of reflections | 21134 | |
| <I/σ(I)> | 18.7 | 5.33 |
| Completeness [%] | 97.6 | 96.3 |
| Redundancy | 12.42 | 10.07 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | PEG 200, PEG3350, MES, SPERMINE, PH 6, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 200 | ||
| 2 | 1 | 1 | PEG3350 | ||
| 3 | 1 | 1 | MES | ||
| 4 | 1 | 1 | spermine | ||
| 5 | 1 | 1 | H2O | ||
| 6 | 1 | 2 | PEG 200 | ||
| 7 | 1 | 2 | PEG3350 | ||
| 8 | 1 | 2 | MES | ||
| 9 | 1 | 2 | H2O |
