5YZE
Crystal structure of the [Co2+-(chromomycin A3)2]-d(CCG)3 complex
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-09-18 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.56418 |
Spacegroup name | P 32 1 2 |
Unit cell lengths | 46.401, 46.401, 73.822 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.180 - 1.870 |
R-factor | 0.196 |
Rwork | 0.194 |
R-free | 0.25200 |
Structure solution method | MAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.008 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXDE |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.200 | 1.940 |
High resolution limit [Å] | 1.870 | 1.870 |
Rmerge | 0.050 | 0.171 |
Number of reflections | 7726 | 775 |
<I/σ(I)> | 44.55 | |
Completeness [%] | 99.6 | |
Redundancy | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 0.75mM DNA, 1.5mM Chro, 3mM Cobalt, 50mM Sodium Cacodylate (pH= 6.0), 1mM MgCl2, 1% MPD eqillibriated against 30% MPD |