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6G6N

Crystal structure of the computationally designed Tako8 protein in C2

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04
Synchrotron siteDiamond
BeamlineI04
Temperature [K]100
Detector technologyPIXEL
Collection date2017-10-26
DetectorDECTRIS PILATUS3 6M
Wavelength(s)0.9795
Spacegroup nameC 1 2 1
Unit cell lengths93.548, 132.297, 81.015
Unit cell angles90.00, 125.26, 90.00
Refinement procedure
Resolution46.774 - 2.001
R-factor0.2459
Rwork0.243
R-free0.26630
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.003
RMSD bond angle0.620
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX ((1.13_2998: ???))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]46.7742.050
High resolution limit [Å]2.0002.000
Rpim0.0250.304
Number of reflections54194
<I/σ(I)>18.53.6
Completeness [%]99.9100
Redundancy6.87
CC(1/2)0.9990.862
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION293.150.1M citrate pH5.0, 3.4M NaCl

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