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5XJW

Crystal Structure of the [Co2+-(Chromomycin A3)2]-CCG repeats Complex

Replaces:  5ES0
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSRRC BEAMLINE BL13B1
Synchrotron siteNSRRC
BeamlineBL13B1
Temperature [K]100
Detector technologyCCD
Collection date2012-09-18
DetectorADSC QUANTUM 315r
Wavelength(s)1.56418
Spacegroup nameP 32 1 2
Unit cell lengths48.309, 48.309, 83.636
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution29.576 - 2.097
R-factor0.2275
Rwork0.225
R-free0.24570
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5xew
RMSD bond length0.004
RMSD bond angle0.764
Data scaling softwareSCALEPACK
Refinement softwarePHENIX (1.10.1-2155)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]30.00030.0002.180
High resolution limit [Å]2.0974.5202.100
Rmerge0.0550.0480.267
Number of reflections12596
<I/σ(I)>24.8
Completeness [%]99.698.197.8
Redundancy6.164.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP62771.0 mM ssDNA, 2.0 mM Chromomycin A3, 4mM CoCl2.6H2O, 50 mM Sodium Cacodylate, 5 mM Spermine, 3% MPD

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