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1Y8H

HORSE METHEMOGLOBIN LOW SALT, PH 7.0

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]293
Detector technologyIMAGE PLATE
Collection date2002-08-24
DetectorMARRESEARCH
Wavelength(s)1.5418
Spacegroup nameP 21 21 21
Unit cell lengths63.299, 83.073, 112.089
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 3.100
R-factor0.202
Rwork0.202
R-free0.27400
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)HORSE METHEMOGLOBIN pdb entry 2MHB
RMSD bond length0.010
RMSD bond angle1.400
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareCNS (0.4)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0003.210
High resolution limit [Å]3.1003.100
Rmerge0.1880.511
Number of reflections10748
Completeness [%]95.993.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1LIQUID DIFFUSION72930.01M Phosphate Buffer, 30%PEG3350, pH 7.0, LIQUID DIFFUSION, temperature 293K

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