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8U1A

De novo Design of Near Infrared Fluorescent Proteins

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 24-ID-C
Synchrotron siteAPS
Beamline24-ID-C
Temperature [K]100
Detector technologyPIXEL
Collection date2022-09-26
DetectorDECTRIS EIGER2 X 16M
Wavelength(s)0.97
Spacegroup nameP 1 21 1
Unit cell lengths54.192, 80.443, 72.631
Unit cell angles90.00, 94.26, 90.00
Refinement procedure
Resolution72.430 - 3.280
R-factor0.2641
Rwork0.261
R-free0.31770
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.005
RMSD bond angle0.687
Data reduction softwareiMOSFLM
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX (dev_4761)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]72.4303.400
High resolution limit [Å]3.2803.280
Rmerge0.1712.170
Rpim0.0710.860
Number of reflections9537926
<I/σ(I)>6.150.82
Completeness [%]98.696.56
Redundancy6.97.2
CC(1/2)0.9970.643
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.52930.2 M Trimethylamine N-oxide dihydrate, 0.1 M Tris pH 8.5, 20% w/v Polyethylene glycol monomethyl ether 2,000

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