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2R61

Crystal structure of the Staphylococcal superantigen-like protein SSL5 in complex with sialyl-Lewis X at pH 7.4

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU MICROMAX-007 HF
Temperature [K]110
Detector technologyIMAGE PLATE
Collection date2006-11-23
DetectorMAR scanner 345 mm plate
Wavelength(s)1.5418
Spacegroup nameP 43 21 2
Unit cell lengths52.223, 52.223, 236.657
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution35.070 - 2.750
R-factor0.21216
Rwork0.209
R-free0.26859
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1m4v
RMSD bond length0.017
RMSD bond angle1.744
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwareREFMAC (5.3.0037)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]59.1642.900
High resolution limit [Å]2.7502.750
Rmerge0.1290.484
Total number of observations10136
Number of reflections9300
<I/σ(I)>51.5
Completeness [%]99.9100
Redundancy7.47.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.429120% PEG 3340, 0.2M disodium tartrate, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 291K

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