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4A9X

Pseudomonas fluorescens PhoX in complex with the substrate analogue AppCp

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID29
Synchrotron siteESRF
BeamlineID29
Temperature [K]100
Detector technologyPIXEL
Collection date2011-11-11
DetectorDECTRIS PILATUS 6M
Spacegroup nameP 21 21 21
Unit cell lengths70.400, 78.900, 111.630
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution35.800 - 1.790
R-factor0.2451
Rwork0.243
R-free0.28660
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4a9v
RMSD bond length0.010
RMSD bond angle1.110
Data reduction softwareXDS
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwareBUSTER (2.11.2)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]64.4301.840
High resolution limit [Å]1.7901.790
Rmerge0.1500.610
Number of reflections53322
<I/σ(I)>6.82.9
Completeness [%]90.199.9
Redundancy6.36.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
17.919% PEG 6000, 0.1 M TRIS PH 7.9, 0.2 M LICL, 300 UM CACL2, 1.5 MM APPCP

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