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3AZ6

Crystal structure of Co/T-HEWL

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2010-03-07
DetectorRIGAKU RAXIS VII
Wavelength(s)1.5418
Spacegroup nameP 43 21 2
Unit cell lengths78.702, 78.702, 36.730
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution18.760 - 1.500
R-factor0.19997
Rwork0.199
R-free0.22173
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)193l
RMSD bond length0.008
RMSD bond angle1.126
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareMOLREP
Refinement softwareREFMAC (6.1.13)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]80.0001.550
High resolution limit [Å]1.5001.500
Rmerge0.0470.268
Number of reflections18996
Completeness [%]99.7100
Redundancy2425.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP4.5293sodium chloride, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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