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1YU7

Crystal Structure of the W64Y mutant of Villin Headpiece

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Temperature [K]95
Detector technologyIMAGE PLATE
Collection date2004-06-01
DetectorRIGAKU RAXIS IV
Wavelength(s)1.5418
Spacegroup nameP 21 21 21
Unit cell lengths31.419, 38.259, 52.807
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution14.250 - 1.500
R-factor0.194
Rwork0.192
R-free0.21000
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)Bromine Phased model of wide type HP67
RMSD bond length0.008
RMSD bond angle1.400
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]100.0001.590
High resolution limit [Å]1.5001.500
Rmerge0.0610.088
Number of reflections9836
<I/σ(I)>28.217.2
Completeness [%]92.285.1
Redundancy76.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.52980.2 M ammonium Sulfate, 0.1 M sodium cacodylate (pH 6.5) and 30 % polyethylene glycol (PEG) 8,000, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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