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1KNF

Crystal Structure of 2,3-dihydroxybiphenyl 1,2-dioxygenase Complexed with 3-methyl Catechol under Anaerobic Condition

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]298
Detector technologyIMAGE PLATE
Collection date1995-11-30
DetectorRIGAKU RAXIS II
Wavelength(s)1.5418
Spacegroup nameI 4 2 2
Unit cell lengths123.100, 123.100, 110.600
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution7.000 - 1.900
R-factor0.199
Rwork0.168
R-free0.19500
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1han
RMSD bond length0.010
RMSD bond angle1.470
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareX-PLOR (3.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]40.0001.970
High resolution limit [Å]1.9001.900
Number of reflections32641
<I/σ(I)>44.85.1
Completeness [%]97.073.1
Redundancy6.93.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.5278PEG4000, t-butanol, 3-methyl catechol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K

217705

数据于2024-03-27公开中

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