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2XJU

X-ray structure of the N-terminal domain of the flocculin Flo5 from Saccharomyces cerevisiae with mutation S227A in complex with calcium and a1,2-mannobiose

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsENRAF-NONIUS FR591
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2009-08-24
DetectorMAR scanner 345 mm plate
Spacegroup nameP 21 21 21
Unit cell lengths46.470, 62.570, 105.770
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution19.400 - 1.700
R-factor0.1645
Rwork0.164
R-free0.19711
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)UNPUBLISHED STRUCTURAL DATA
RMSD bond length0.012
RMSD bond angle1.740
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwareREFMAC
Refinement softwareREFMAC (5.5.0109)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]19.4001.760
High resolution limit [Å]1.6701.670
Rmerge0.0500.270
Number of reflections35802
<I/σ(I)>18.45
Completeness [%]98.293.9
Redundancy3.53.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
10.5 M NACL, BISTRIS-PROPANE PH7.5, 20% PEG-4000

222036

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