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5WBC

Designed Artificial Cupredoxins - WT

Replaces:  5K49
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 8.2.1
Synchrotron siteALS
Beamline8.2.1
Temperature [K]100
Detector technologyCCD
Collection date2016-06-02
DetectorADSC QUANTUM 315r
Wavelength(s)1
Spacegroup nameI 41 2 2
Unit cell lengths57.580, 57.580, 183.710
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution54.940 - 1.720
R-factor0.13601
Rwork0.134
R-free0.16788
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2qcb
RMSD bond length0.029
RMSD bond angle2.584
Data reduction softwareiMOSFLM
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0135)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]54.9401.750
High resolution limit [Å]1.7201.720
Rmerge0.108
Number of reflections16931
<I/σ(I)>12
Completeness [%]99.7
Redundancy7.9
CC(1/2)1.0001.000
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP42740.1 M sodium acetate, pH 4, 2.6 M ammonium sulfate

219869

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