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6LDF

Crystal structure of the Zn-directed tetramer of the engineered cyt cb 562 variant, C96K AB5

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPAL/PLS BEAMLINE 11C
Synchrotron sitePAL/PLS
Beamline11C
Temperature [K]100
Detector technologyPIXEL
Collection date2018-10-19
DetectorDECTRIS PILATUS3 6M
Wavelength(s)0.979
Spacegroup nameP 61 2 2
Unit cell lengths53.748, 53.748, 253.813
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution28.620 - 2.350
R-factor0.1767
Rwork0.173
R-free0.24530
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3qi5
RMSD bond length0.011
RMSD bond angle1.609
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0257)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]28.6202.390
High resolution limit [Å]2.3502.350
Number of reflections9893470
<I/σ(I)>95.02
Completeness [%]99.7
Redundancy39.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.529845% (+/-)-2-methyl-2,4-pentanediol (MPD), 100 mM bis-tris, 200 mM sodium chloride

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