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9OJ3

Crystal structure of the SpyTag003-SpyCatcher003 complex

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 2.0.1
Synchrotron siteALS
Beamline2.0.1
Temperature [K]100
Detector technologyPIXEL
Collection date2023-11-18
DetectorDECTRIS PILATUS 6M
Wavelength(s)1.0
Spacegroup nameP 21 21 21
Unit cell lengths48.338, 67.490, 70.072
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution48.610 - 1.430
R-factor0.135
Rwork0.134
R-free0.14880
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.010
RMSD bond angle1.389
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHENIX
Refinement softwarePHENIX (1.20.1_4487)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]48.6101.480
High resolution limit [Å]1.4301.430
Rmerge0.077
Number of reflections405132727
<I/σ(I)>11.32
Completeness [%]94.8
Redundancy2
CC(1/2)0.9920.696
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8295Ammonium sulfate 0.2M, NaCl 200mM, PEG8000 30%, Anderson-Evans polyoxotungstate "TEW" additive 1mM, Glycerol 5%

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