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3M7S

Crystal structure of the complex of xylanase GH-11 and alpha amylase inhibitor protein with cellobiose at 2.4 A resolution

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU300
Temperature [K]291
Detector technologyIMAGE PLATE
Collection date2008-10-21
DetectorMAR scanner 345 mm plate
Wavelength(s)1.54
Spacegroup nameP 1 21 1
Unit cell lengths42.800, 65.400, 49.420
Unit cell angles90.00, 102.00, 90.00
Refinement procedure
Resolution19.920 - 2.400
R-factor0.196
Rwork0.196
R-free0.21200
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3d5h
RMSD bond length0.011
RMSD bond angle2.000
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareCNS (1.2)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0002.490
High resolution limit [Å]2.4002.400
Number of reflections10284
<I/σ(I)>5.8
Completeness [%]100.098
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.22980.1M ammonium sulphate, 20% PEG 6000, 0.1M sodium acetate, 20mM phosphate buffer, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

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