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1VBO

Crystal structure of artocarpin-mannotriose complex

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]278
Detector technologyIMAGE PLATE
Collection date2003-06-10
DetectorMARRESEARCH
Wavelength(s)1.5418
Spacegroup nameP 1 21 1
Unit cell lengths138.217, 72.296, 59.373
Unit cell angles90.00, 94.48, 90.00
Refinement procedure
Resolution19.850 - 2.350
R-factor0.209
Rwork0.209
R-free0.22600
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1j4u
RMSD bond length0.018
RMSD bond angle3.400
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0002.430
High resolution limit [Å]2.3502.350
Rmerge0.1040.498
Number of reflections48504
<I/σ(I)>8.9
Completeness [%]99.299.3
Redundancy2.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.4300PEG4000, PEG1450, Phosphate buffer, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 300K

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