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6Q6X

Structure of Fucosylated D-antimicrobial peptide SB6 in complex with the Fucose-binding lectin PA-IIL at 1.525 Angstrom resolution

Experimental procedure
Experimental methodMAD
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X06DA
Synchrotron siteSLS
BeamlineX06DA
Temperature [K]80
Detector technologyPIXEL
Collection date2016-06-30
DetectorDECTRIS PILATUS 2M-F
Wavelength(s)1.000030
Spacegroup nameP 1 21 1
Unit cell lengths52.474, 59.416, 72.060
Unit cell angles90.00, 106.12, 90.00
Refinement procedure
Resolution47.509 - 1.525
R-factor0.1594
Rwork0.158
R-free0.18200
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.006
RMSD bond angle0.846
Data reduction softwareXDS
Data scaling softwareSCALA (3.3.22)
Phasing softwarePHASER (2.6.0)
Refinement softwarePHENIX
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]47.50947.5091.610
High resolution limit [Å]1.5254.8201.530
Rmerge0.0260.435
Rmeas0.0810.0320.541
Rpim0.0460.0180.317
Total number of observations175314638920952
Number of reflections6280320718132
<I/σ(I)>13.938.13.2
Completeness [%]96.89786.4
Redundancy2.83.12.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.52910.1 M HEPES sodium pH 7.5, 2% v/v Polyethylene glycol 400, 2.0 M Ammonium sulfate

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數據於2024-03-27公開中

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