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5XMG

Crystal structure of PA3488 from Pseudomonas aeruginosa

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL19U1
Synchrotron siteSSRF
BeamlineBL19U1
Temperature [K]100
Detector technologyPIXEL
Collection date2016-05-25
DetectorDECTRIS PILATUS3 6M
Wavelength(s)0.9788
Spacegroup nameP 61 2 2
Unit cell lengths66.390, 66.390, 363.830
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution41.722 - 2.800
R-factor0.2175
Rwork0.215
R-free0.26710
Structure solution methodSAD
RMSD bond length0.012
RMSD bond angle1.422
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHENIX
Refinement softwarePHENIX (1.10.1_2155)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.870
High resolution limit [Å]2.8002.800
Rmerge0.0700.588
Number of reflections221101661
<I/σ(I)>24.23.71
Completeness [%]100.0100
Redundancy11.1
CC(1/2)0.9900.870
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.52930.05 M Ammonium sulfate , 0.05 M BIS-TRIS pH 6.5, 30% v/v Pentaerythritol ethoxylate (15/4 EO/OH)

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數據於2024-09-18公開中

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