6EQX

X-ray structure of the proprotein convertase furin bound with the competitive inhibitor Arg-Arg-Arg-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	131.805, 131.805, 155.347
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.157 - 1.994
R-factor	0.163
Rwork	0.162
R-free	0.18370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jxh
RMSD bond length	0.006
RMSD bond angle	0.818
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]	47.160	2.110
High resolution limit [Å]	1.990	1.990
Rmerge	0.123	0.644
Rmeas	0.133	0.699
Number of reflections	54349	8593
<I/σ(I)>	13.25	3.25
Completeness [%]	99.3	99
Redundancy	6.57
CC(1/2)	0.997	0.864

Crystallization Conditions

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