6EQV

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918409
Spacegroup name	P 65 2 2
Unit cell lengths	131.601, 131.601, 155.638
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.976 - 1.895
R-factor	0.1646
Rwork	0.164
R-free	0.18210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jxh
RMSD bond length	0.006
RMSD bond angle	0.830
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.200	2.010
High resolution limit [Å]	1.890	1.890
Rmerge	0.109	0.723
Rmeas	0.118	0.786
Number of reflections	63141	9981
<I/σ(I)>	14.97	2.84
Completeness [%]	99.4
Redundancy	6.54
CC(1/2)	0.998	0.844

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	CRYSTALLIZATION SOLUTION: 100mM MES, 200mM K/NaH2PO4, PH 5.5-6.0, 3-4M NaCl, 3% DMSO; RESERVOIR SOLUTION: 3-4 M NaCl