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2EF2

Crystal Structure of an Artificial Metalloprotein:Rh(Phebox-Ph)/apo-A71G Myoglobin

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2006-06-26
DetectorRIGAKU RAXIS VII
Wavelength(s)1.5418
Spacegroup nameP 21 21 21
Unit cell lengths33.046, 57.820, 75.426
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution21.760 - 1.800
R-factor0.20313
Rwork0.200
R-free0.26421
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1vfj
RMSD bond length0.015
RMSD bond angle1.830
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareREFMAC (5.2.0005)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]80.0001.860
High resolution limit [Å]1.8001.800
Rmerge0.0570.293
Number of reflections13570
Completeness [%]97.194.6
Redundancy10.98.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.82771.35M Sodium, Pottasium Phosphate, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K

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