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2NQX

Crystal Structure of bovine lactoperoxidase with iodide ions at 2.9A resolution

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU300
Temperature [K]290
Detector technologyIMAGE PLATE
Collection date2006-09-25
DetectorMAR scanner 345 mm plate
Wavelength(s)1.5418
Spacegroup nameP 1 21 1
Unit cell lengths54.530, 80.549, 78.031
Unit cell angles90.00, 103.74, 90.00
Refinement procedure
Resolution25.000 - 2.950
R-factor0.198
Rwork0.196
R-free0.23630
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2ips
RMSD bond length0.008
RMSD bond angle1.212
Data reduction softwareAUTOMAR
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]25.0003.000
High resolution limit [Å]2.9002.900
Number of reflections13026
<I/σ(I)>6.52.1
Completeness [%]98.697.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1

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