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4OIZ

Structure, interactions and evolutionary implications of a domain-swapped lectin dimer from Mycobacterium smegmatis

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsBRUKER AXS MICROSTAR
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2012-06-01
DetectorMAR scanner 345 mm plate
Wavelength(s)1.54179
Spacegroup nameC 1 2 1
Unit cell lengths123.510, 80.860, 100.940
Unit cell angles90.00, 130.69, 90.00
Refinement procedure
Resolution40.000 - 3.400
R-factor0.2443
Rwork0.242
R-free0.28820
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)Native structure
RMSD bond length0.004
RMSD bond angle0.786
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0049)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]40.0003.580
High resolution limit [Å]3.4003.400
Rmerge0.1560.430
Number of reflections10344
<I/σ(I)>6
Completeness [%]98.498.1
Redundancy3.73.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP72982.0M ammonium citrate tribasic, 0.1M bis-tris propane, 60mM methyl-alpha-mannose, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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