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3VSX

Human renin in complex with compound 18

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU FR-E DW
Temperature [K]93
Detector technologyIMAGE PLATE
Collection date2006-04-12
DetectorRIGAKU RAXIS VII
Spacegroup nameP 21 3
Unit cell lengths138.188, 138.188, 138.188
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution19.740 - 2.800
Rwork0.237
R-free0.30100
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1rne
RMSD bond length0.008
RMSD bond angle1.500
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Refinement softwareCNS
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0002.900
High resolution limit [Å]2.8006.0302.800
Rmerge0.1250.0780.241
Number of reflections21771
<I/σ(I)>25.1
Completeness [%]98.998.1100
Redundancy6.26.16.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP32955-12% PEG3 350, 0.6M NaCl, 0.1M citrate (pH 3.0-4.5), VAPOR DIFFUSION, HANGING DROP, temperature 295K

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