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1LO5

Crystal structure of the D227A variant of Staphylococcal enterotoxin A in complex with human MHC class II

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsMAX II BEAMLINE I711
Synchrotron siteMAX II
BeamlineI711
Temperature [K]100
Detector technologyCCD
Collection date2002-02-13
DetectorMARRESEARCH
Wavelength(s)1.076
Spacegroup nameP 21 21 21
Unit cell lengths52.008, 75.792, 198.082
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution30.000 - 3.200
R-factor0.245
Rwork0.245
R-free0.33900
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR): 1esf and 1dlh
RMSD bond length0.009
RMSD bond angle1.590

*

Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareAMoRE
Refinement softwareCNS (1.0)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0003.370
High resolution limit [Å]3.2003.200
Rmerge0.1010.246
Number of reflections38082

*

4777

*

<I/σ(I)>6.43.1
Completeness [%]91.687.9
Redundancy3.12.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion

*

6.52910.2M (NH4)2SO4, 0.1M MES, 24%(w/v) polyethylen glycol monomethyl ether 5000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein4.5 (mg/ml)
21drop1 (mM)
31reservoirammonium sulfate0.2 (M)
41reservoirMES0.1 (M)
51reservoirPEG500024 (%(w/v))pH6.5

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