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3MFC

Computationally designed end0-1,4-beta,xylanase

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsBRUKER AXS MICROSTAR
Temperature [K]100
Detector technologyCCD
Collection date2009-03-03
DetectorBruker Platinum 135
Wavelength(s)1.54
Spacegroup nameP 31 2 1
Unit cell lengths63.772, 63.772, 107.288
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution20.000 - 1.700
R-factor0.1397
Rwork0.137
R-free0.18866
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.026
RMSD bond angle1.952
Data reduction softwarePROTEUM PLUS (PLUS)
Data scaling softwarePROTEUM PLUS (PLUS)
Phasing softwareMOLREP
Refinement softwareREFMAC (5.5.0109)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0001.739
High resolution limit [Å]1.7001.695
Number of reflections27122
Completeness [%]99.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP29310mg.mL protein conc., 0.1 M NaCl, 1.125 M ammonium sulfate, 0.1 M Bis-Tris pH 5.5, 3% Jeffamine M600 pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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