1PFE
Echinomycin-(gcgtacgc)2 complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-11-19 |
| Detector | MARRESEARCH |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 39.374, 39.374, 79.734 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 21.000 - 1.100 |
| R-factor | 0.146 |
| R-free | 0.16800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | TROSTIN A - (GCGTACGC)2 COMPLEX |
| RMSD bond length | 0.022 |
| RMSD bond angle | 0.036 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.000 | 1.200 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.049 | 0.242 |
| Number of reflections | 15164 | |
| <I/σ(I)> | 30.01 | 11.48 |
| Completeness [%] | 97.2 | 95.7 |
| Redundancy | 14.91 | 13.05 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.5 | LI2SO4, MGCL2, METHANOL, NAAC, SPERMINE, PH 4.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Li2SO4 | ||
| 2 | 1 | 1 | MgCl2 | ||
| 3 | 1 | 1 | Methanol | ||
| 4 | 1 | 1 | NaAc | ||
| 5 | 1 | 1 | Spermine | ||
| 6 | 1 | 1 | H2O | ||
| 7 | 1 | 2 | MgCl2 |
