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4C5L

Structure of the pyridoxal kinase from Staphylococcus aureus in complex with pyridoxal

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X06SA
Synchrotron siteSLS
BeamlineX06SA
Temperature [K]100
Detector technologyPIXEL
Collection date2013-07-18
DetectorDECTRIS PILATUS
Spacegroup nameP 1 21 1
Unit cell lengths63.440, 102.780, 83.520
Unit cell angles90.00, 90.44, 90.00
Refinement procedure
Resolution43.810 - 1.850
R-factor0.23614
Rwork0.234
R-free0.27485
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4c5j
RMSD bond length0.011
RMSD bond angle1.423
Data reduction softwareXDS
Data scaling softwareXSCALE
Refinement softwareREFMAC (5.7.0032)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]43.8101.920
High resolution limit [Å]1.8501.850
Rmerge0.1501.390
Number of reflections90725
<I/σ(I)>11.651.1
Completeness [%]99.497
Redundancy4.54.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
150MM HEPES PH 7.6, 2M NH4SO4

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