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 |
