1VAQ
Crystal structure of the Mg2+-(chromomycin A3)2-d(TTGGCCAA)2 complex reveals GGCC binding specificity of the drug dimer chelated by metal ion
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU |
Wavelength(s) | 1.5432 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 42.230, 42.230, 246.110 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.000 |
R-factor | 0.235 |
Rwork | 0.235 |
R-free | 0.27800 |
Structure solution method | MAD |
RMSD bond length | 0.022 |
RMSD bond angle | 2.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.000 |
Rmerge | 0.005 |
Redundancy | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | sodium-cacodylate, MgCl2, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | sodium-cacodylate | ||
2 | 1 | 1 | MgCl2 | ||
3 | 1 | 2 | sodium-cacodylate | ||
4 | 1 | 2 | MgCl2 |