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7QT0

Antibody FenAb136 - fentanyl complex

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X06DA
Synchrotron siteSLS
BeamlineX06DA
Temperature [K]100
Detector technologyPIXEL
Collection date2021-02-19
DetectorDECTRIS PILATUS 2M-F
Wavelength(s)1
Spacegroup nameC 1 2 1
Unit cell lengths182.982, 105.843, 172.775
Unit cell angles90.00, 112.24, 90.00
Refinement procedure
Resolution54.520 - 2.070
R-factor0.2422
Rwork0.242
R-free0.28190
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5h2b
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwarePHENIX (1.19.2_4158)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]54.5202.140
High resolution limit [Å]2.0702.070
Rmerge0.0640.598
Number of reflections18197017881
<I/σ(I)>7.291.2
Completeness [%]97.596.49
Redundancy22
CC(1/2)0.9870.584
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.52812.0m M (NH4)2SO4, 0.1 M ADA/NaOH, 10 % Ethanol

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