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 |