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6N1X

BshA from Staphylococcus aureus complexed with UDP and N-acetylglucosamine

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 21-ID-G
Synchrotron siteAPS
Beamline21-ID-G
Temperature [K]100
Detector technologyCCD
Collection date2018-10-06
DetectorMARMOSAIC 300 mm CCD
Wavelength(s)0.97856
Spacegroup nameP 2 3
Unit cell lengths135.143, 135.143, 135.143
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution27.029 - 2.350
R-factor0.1746
Rwork0.173
R-free0.19630
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)6d9t
RMSD bond length0.008
RMSD bond angle0.913
Data reduction softwareHKL-2000
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX (1.11.1_2575)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]30.00030.0002.390
High resolution limit [Å]2.3506.3602.350
Rmerge0.1920.0451.979
Rmeas0.1970.0462.026
Rpim0.0420.0110.432
Total number of observations773023
Number of reflections3456918431713
<I/σ(I)>5.1
Completeness [%]100.099.8100
Redundancy22.419.121.9
CC(1/2)1.0000.705
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP72980.05 M sodium formate, 6% polyethylene glycol 3350, 2.5 mM UDP-N-acetylglucosamine

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