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5J73

De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 8.2.2
Synchrotron siteALS
Beamline8.2.2
Temperature [K]100
Detector technologyCCD
Collection date2015-01-28
DetectorADSC QUANTUM 315r
Wavelength(s)1.0
Spacegroup nameP 1 21 1
Unit cell lengths37.790, 91.970, 45.840
Unit cell angles90.00, 111.14, 90.00
Refinement procedure
Resolution38.770 - 2.560
R-factor0.2117
Rwork0.207
R-free0.25420
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.005
RMSD bond angle0.838
Data reduction softwarexia2
Data scaling softwarexia2
Phasing softwarePHENIX
Refinement softwarePHENIX (dev_1616)
Data quality characteristics
 Overall
Low resolution limit [Å]38.770
High resolution limit [Å]2.560
Rmerge0.056
Number of reflections9454
<I/σ(I)>17.1
Completeness [%]99.8
Redundancy4.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2930.1 M Sodium citrate tribasic dehydrate pH 5.0, 30 % PEG MME 550

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