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8GT0

Structure of falcipain and human Stefin A complex

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE MASSIF-3
Synchrotron siteESRF
BeamlineMASSIF-3
Temperature [K]100
Detector technologyPIXEL
Collection date2020-12-09
DetectorDECTRIS EIGER X 4M
Wavelength(s)0.9677
Spacegroup nameP 21 21 21
Unit cell lengths65.100, 118.063, 119.340
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution43.990 - 3.280
R-factor0.2794
Rwork0.278
R-free0.29930
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.004
RMSD bond angle1.000
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwareMOLREP
Refinement softwarePHENIX (1.19.2_4158)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]43.9903.400
High resolution limit [Å]3.2803.280
Rmerge0.428
Number of reflections146441449
<I/σ(I)>6.1
Completeness [%]99.9
Redundancy8.6
CC(1/2)0.568
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP2900.05 M cadmium chloride, 0.1 M Na HEPES pH 7.5, 1.0 M sodium acetate and 5 mM MgSO4

223790

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