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6NKJ

1.3 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Streptococcus pneumoniae in Complex with (2R)-2-(phosphonooxy)propanoic acid.

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 21-ID-G
Synchrotron siteAPS
Beamline21-ID-G
Temperature [K]100
Detector technologyCCD
Collection date2017-07-12
DetectorMARMOSAIC 300 mm CCD
Wavelength(s)0.97856
Spacegroup nameP 32
Unit cell lengths120.713, 120.713, 70.614
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution27.770 - 1.300
R-factor0.14528
Rwork0.145
R-free0.15494
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3sg1
RMSD bond length0.007
RMSD bond angle1.595
Data reduction softwareHKL-3000
Data scaling softwareHKL-3000
Phasing softwareMoRDa
Refinement softwareREFMAC (5.8.0238)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0001.320
High resolution limit [Å]1.3001.300
Rmerge0.0490.599
Rmeas0.0570.712
Rpim0.0290.378
Number of reflections28524314279
<I/σ(I)>22.22.3
Completeness [%]99.8100
Redundancy3.53.3
CC(1/2)0.725
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7292Protein: 11.0 mg/ml, 0.5M Sodium chloride, 0.01M Tris HCl (pH 8.3); Screen: Classics II (B9), 1.8M Ammonium citrate pH=7.0; Cryo: 1.8M Ammonium citrate pH=7.0, 25% Sucrose.

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