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2V7N

Unusual twinning in crystals of the CitS binding antibody Fab fragment f3p4

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X06SA
Synchrotron siteSLS
BeamlineX06SA
Temperature [K]100
Detector technologyCCD
Collection date2006-10-16
DetectorMARRESEARCH
Spacegroup nameP 21 21 2
Unit cell lengths102.790, 185.920, 102.990
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution15.000 - 1.920
R-factor0.1552
R-free0.20170
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.006
RMSD bond angle0.023
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwarePHASER (1.3.1)
Refinement softwareSHELXL-97
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]31.0001.920
High resolution limit [Å]1.9001.900
Rmerge0.1200.370
Number of reflections151552
<I/σ(I)>10.23.5
Completeness [%]97.483.3
Redundancy4.93.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
16.523% PEG4000, 50 MM LI2SO4, 50 MM NA2SO4, 50 MM N-(2ACETAMIDO) IMINODIACETIC ACID (ADA), PH 6.5

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