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2OJV

Crystal structure of a ternary complex of goat lactoperoxidase with cyanide and iodide ions at 2.4 A resolution

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU300
Temperature [K]292
Detector technologyIMAGE PLATE
Collection date2006-10-10
DetectorMAR scanner 345 mm plate
Wavelength(s)1.54132
Spacegroup nameP 1 21 1
Unit cell lengths54.197, 80.811, 77.047
Unit cell angles90.00, 102.96, 90.00
Refinement procedure
Resolution74.540 - 2.400
R-factor0.182
Rwork0.178
R-free0.22786
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2GJ1
RMSD bond length0.014
RMSD bond angle1.980
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareREFMAC (5.0)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]74.5402.440
High resolution limit [Å]2.4002.400
Number of reflections23672
Completeness [%]97.990.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.2298100mM Tris-Hcl, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K

218196

数据于2024-04-10公开中

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