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3D72

1.65 Angstrom crystal structure of the Cys71Val variant in the fungal photoreceptor VVD

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsCHESS BEAMLINE F1
Synchrotron siteCHESS
BeamlineF1
Temperature [K]77
Detector technologyCCD
Collection date2007-10-27
DetectorADSC QUANTUM 270
Wavelength(s)0.9179
Spacegroup nameP 1 21 1
Unit cell lengths36.240, 80.700, 57.580
Unit cell angles90.00, 95.16, 90.00
Refinement procedure
Resolution50.000 - 1.650
R-factor0.26
Rwork0.250
R-free0.26000
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2pd7
RMSD bond length0.010
RMSD bond angle1.500
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareAMoRE
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.710
High resolution limit [Å]1.6501.650
Rmerge0.0630.180
Number of reflections39115
<I/σ(I)>37.956.9
Completeness [%]98.694.1
Redundancy4.13.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.629526% PEG 4000, 100 mM triSodium Citrate pH 5.6, 100 mM Sodium Acetate, VAPOR DIFFUSION, HANGING DROP, temperature 295K

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