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6LFW

Crystal structure of PCB4scFv(hN56D) in complex with PCB#126

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron sitePhoton Factory
BeamlineAR-NE3A
Temperature [K]100
Detector technologyPIXEL
Collection date2015-06-22
DetectorDECTRIS PILATUS 2M
Wavelength(s)1
Spacegroup nameI 4
Unit cell lengths92.210, 92.210, 51.550
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution32.600 - 1.410
R-factor0.1275
Rwork0.126
R-free0.15550
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3esu
RMSD bond length0.007
RMSD bond angle0.982
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwareMOLREP
Refinement softwarePHENIX (1.13_2998)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]32.6001.450
High resolution limit [Å]1.4101.410
Rmerge0.0630.318
Number of reflections415102792
<I/σ(I)>26.4
Completeness [%]99.3
Redundancy12.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP293CHES, 30% PEG 3000

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