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9CMC

Crystal structure of the peanut allergen Ara h 2 with two human derived Fab antibodies 22S1 and 23P34

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 22-ID
Synchrotron siteAPS
Beamline22-ID
Temperature [K]100
Detector technologyPIXEL
Collection date2022-07-15
DetectorDECTRIS EIGER X 16M
Wavelength(s)1.0
Spacegroup nameP 1 21 1
Unit cell lengths90.906, 165.009, 164.642
Unit cell angles90.00, 105.93, 90.00
Refinement procedure
Resolution49.530 - 2.950
R-factor0.2142
Rwork0.213
R-free0.25310
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.007
RMSD bond angle1.082
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwarePHENIX (1.20.1_4487)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0003.000
High resolution limit [Å]2.9502.950
Rmerge0.1001.095
Rmeas0.1091.185
Rpim0.0420.448
Number of reflections979474880
<I/σ(I)>8.41.5
Completeness [%]99.3
Redundancy6.6
CC(1/2)0.9920.752
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2770.1M BisTRisPropane pH 7.5, 0.2M potassium sodium tartrate tetrahydrate, 20% PEG3350

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