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3AAR

Crystal structure of Lp1NTPDase from Legionella pneumophila in complex with AMPPNP

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron siteAustralian Synchrotron
BeamlineMX1
Temperature [K]100
Detector technologyCCD
DetectorADSC QUANTUM 210
Wavelength(s)0.954
Spacegroup nameP 3 2 1
Unit cell lengths104.701, 104.701, 75.415
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution20.000 - 1.650
R-factor0.17753
Rwork0.176
R-free0.19717
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3aap
RMSD bond length0.011
RMSD bond angle1.260
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]35.0001.740
High resolution limit [Å]1.6501.650
Rmerge0.1190.452
Number of reflections55849
<I/σ(I)>14.33.5
Completeness [%]97.698.8
Redundancy7.57.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.529420-24%(w/v) PEG 3350, 0.2M Na Formate, 0.1M Bis-Tris propane pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K

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