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4IZL

Structure Of The N248A Mutant of the PANTON-VALENTINE LEUCOCIDIN S Component from STAPHYLOCOCCUS AUREUS

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID23-2
Synchrotron siteESRF
BeamlineID23-2
Temperature [K]100
Detector technologyCCD
Collection date2008-10-06
DetectorMARMOSAIC 225 mm CCD
Wavelength(s)0.8726
Spacegroup nameP 43 21 2
Unit cell lengths93.970, 93.970, 309.330
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution46.990 - 2.800
R-factor0.2238
Rwork0.223
R-free0.24450
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1t5r
RMSD bond length0.008
RMSD bond angle1.090
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareBUSTER (2.10.0)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]46.9902.900
High resolution limit [Å]2.8002.800
Rmerge0.1220.649
Number of reflections34936
<I/σ(I)>161.9
Completeness [%]99.194.6
Redundancy8.32.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.528540 % PEG200, 0.1M NaMES, pH 7.50, VAPOR DIFFUSION, SITTING DROP, temperature 285K

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