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1YU8

Crystal Structure of the R37A Mutant of Villin Headpiece

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Temperature [K]95
Detector technologyIMAGE PLATE
Collection date2004-06-05
DetectorRIGAKU RAXIS IV
Wavelength(s)1.5418
Spacegroup nameP 21 21 21
Unit cell lengths31.382, 37.543, 53.529
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution15.510 - 1.450
R-factor0.205
Rwork0.192
R-free0.21100
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)bromine phased model of wild type HP67
RMSD bond length0.009
RMSD bond angle1.300
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]100.0001.500
High resolution limit [Å]1.4501.450
Rmerge0.0540.136
Number of reflections11624
<I/σ(I)>24.48.8
Completeness [%]99.296.2
Redundancy4.33.4
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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