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6A8L

Crystal structure of nicotinamidase/ pyrazinamidase PncA from Bacillus subtilis

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron sitePAL/PLS
Beamline7A (6B, 6C1)
Temperature [K]100
Detector technologyCCD
Collection date2017-11-25
DetectorADSC QUANTUM 315r
Wavelength(s)0.9826
Spacegroup nameP 62
Unit cell lengths90.037, 90.037, 86.181
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution28.910 - 2.000
R-factor0.177
Rwork0.153
R-free0.21740
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3o91
RMSD bond length0.008
RMSD bond angle1.084
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHENIX
Refinement softwarePHENIX (1.8.4_1496)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.930
High resolution limit [Å]1.9001.900
Rmerge0.074
Number of reflections31118
<I/σ(I)>32.462.91
Completeness [%]99.396.9
Redundancy5.63
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.52871.39 M sodium citrate,0.1 M HEPES (PH 7.5)

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