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 |