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6EQV

X-ray structure of the proprotein convertase furin bound with the competitive inhibitor Phac-Cit-Val-Arg-Amba

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsBESSY BEAMLINE 14.1
Synchrotron siteBESSY
Beamline14.1
Temperature [K]100
Detector technologyPIXEL
Collection date2014-11-24
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.918409
Spacegroup nameP 65 2 2
Unit cell lengths131.601, 131.601, 155.638
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution45.976 - 1.895
R-factor0.1646
Rwork0.164
R-free0.18210
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5jxh
RMSD bond length0.006
RMSD bond angle0.830
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwarePHENIX
Refinement softwarePHENIX ((1.11.1_2575: ???))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]47.2002.010
High resolution limit [Å]1.8901.890
Rmerge0.1090.723
Rmeas0.1180.786
Number of reflections631419981
<I/σ(I)>14.972.84
Completeness [%]99.4
Redundancy6.54
CC(1/2)0.9980.844
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP293.15CRYSTALLIZATION SOLUTION: 100mM MES, 200mM K/NaH2PO4, PH 5.5-6.0, 3-4M NaCl, 3% DMSO; RESERVOIR SOLUTION: 3-4 M NaCl

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