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4RYD

X-ray structure of human furin in complex with the competitive inhibitor para-guanidinomethyl-Phac-R-Tle-R-Amba

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsBESSY BEAMLINE 14.1
Synchrotron siteBESSY
Beamline14.1
Temperature [K]100
Detector technologyPIXEL
Collection date2013-10-31
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.918
Spacegroup nameP 21 21 21
Unit cell lengths141.652, 152.701, 168.398
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution50.000 - 2.150
Rwork0.186
R-free0.21860
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.008
RMSD bond angle1.394
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwarePHASER
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.280
High resolution limit [Å]2.1502.150
Number of reflections194799
<I/σ(I)>1.95
Completeness [%]97.7
Redundancy3.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.529350mM Tris, 2.8M sodium formate, 15mM Cymal-7, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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