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2WT9

Acinetobacter baumanii nicotinamidase pyrazinamidease

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04
Synchrotron siteDiamond
BeamlineI04
Temperature [K]100
Detector technologyCCD
DetectorADSC CCD
Spacegroup nameP 1
Unit cell lengths46.640, 46.890, 59.480
Unit cell angles113.19, 88.25, 115.61
Refinement procedure
Resolution28.400 - 1.650
R-factor0.182
Rwork0.179
R-free0.23500
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1im5
RMSD bond length0.021
RMSD bond angle1.914
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareREFMAC (5.5.0102)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]28.4001.690
High resolution limit [Å]1.6501.650
Rmerge0.0800.490
Number of reflections47549
<I/σ(I)>12.23.25
Completeness [%]88.675.4
Redundancy3.43.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
12.0 M AMMONIUM SULPHATE, 200 MM SODIUM CACODYLATE, PH 5.5, 200 MM LITHIUM CHLORIDE AND 20% GLYCEROL.

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