1XVR
echinomycin (CGTACG)2 complex
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 | 2003-12-11 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 29.512, 62.616, 34.143 |
| Unit cell angles | 90.00, 114.99, 90.00 |
Refinement procedure
| Resolution | 16.500 - 1.400 |
| R-factor | 0.189 |
| R-free | 0.23500 |
| Structure solution method | MR |
| Data reduction software | HKL-2000 |
| Data scaling software | XDS |
| Phasing software | EPMR |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 16.500 | 1.500 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.055 | 0.275 |
| Number of reflections | 10857 | |
| <I/σ(I)> | 12.72 | 4.87 |
| Completeness [%] | 97.8 | 94.3 |
| Redundancy | 3.82 | 3.53 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | MPD, MGCL2, MES, SPERMINE-HCL, PH 6, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 285K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MPD | ||
| 2 | 1 | 1 | MgCl2 | ||
| 3 | 1 | 1 | MES | ||
| 4 | 1 | 1 | spermine-HCl | ||
| 5 | 1 | 1 | H2O | ||
| 6 | 1 | 2 | MPD | ||
| 7 | 1 | 2 | MgCl2 |
