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6LDE

Crystal structure of the Zn-directed tetramer of the engineered cyt cb 562 variant, C96V AB5

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPAL/PLS BEAMLINE 11C
Synchrotron sitePAL/PLS
Beamline11C
Temperature [K]100
Detector technologyPIXEL
Collection date2018-07-29
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.979
Spacegroup nameP 61 2 2
Unit cell lengths53.757, 53.757, 250.721
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution46.550 - 2.000
R-factor0.1818
Rwork0.179
R-free0.23980
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3iq5
RMSD bond length0.013
RMSD bond angle1.607
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0258)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]46.5502.100
High resolution limit [Å]2.0002.050
Number of reflections155371425
<I/σ(I)>24.22
Completeness [%]100.0
Redundancy30.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.529836% Polypropylene glycol (P400), 100 mM bis-tris, 200 mM magnessium chloride

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