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3VYD

Human renin in complex with inhibitor 6

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU FR-E SUPERBRIGHT
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2008-01-31
DetectorRIGAKU RAXIS VII
Wavelength(s)1.502
Spacegroup nameP 21 3
Unit cell lengths141.025, 141.025, 141.025
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution19.750 - 2.810
R-factor0.2113
Rwork0.203
R-free0.28210
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3vsw
RMSD bond length0.012
RMSD bond angle1.612
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareCNS
Refinement softwareREFMAC (5.6.0117)
Data quality characteristics
 Overall
Low resolution limit [Å]20.000
High resolution limit [Å]2.800
Number of reflections21118
Completeness [%]91.0
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP2955-12% PEG 3350, 0.6M NaCl, 0.1M citrate pH3.0-4.5, vapor diffusion, hanging drop, temperature 295K, VAPOR DIFFUSION, HANGING DROP

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