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8RND

Cathepsin S in complex with NNPI-C10 inhibitor

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X06DA
Synchrotron siteSLS
BeamlineX06DA
Temperature [K]100
Detector technologyPIXEL
Collection date2021-06-18
DetectorDECTRIS EIGER X 16M
Wavelength(s)1.000002
Spacegroup nameP 21 21 2
Unit cell lengths44.633, 129.220, 37.670
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution42.190 - 1.560
R-factor0.1735
Rwork0.171
R-free0.22510
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.009
RMSD bond angle1.122
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX (dev_5246)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]42.1901.640
High resolution limit [Å]1.5601.560
Rmeas0.1431.460
Number of reflections602159679
<I/σ(I)>8.671.31
Completeness [%]99.899.7
Redundancy5.75.4
CC(1/2)0.9970.665
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2770.1M BisTris Propane pH 6.5, 0.2 M NaNO3, 20% w/v PEG3350, 10% ethylene glycol

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