9FID

X-ray structure of furin (PCSK3) in complex with the PC1/3 (PCSK1) prodomain mutant R78K,R80A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-07
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.8731
Spacegroup name	P 1 21 1
Unit cell lengths	58.480, 196.980, 99.870
Unit cell angles	90.00, 106.82, 90.00

Refinement procedure

Resolution	43.780 - 2.400
R-factor	0.2279
Rwork	0.227
R-free	0.25150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.589
Data reduction software	XDS (VERSION Feb 5, 2021)
Data scaling software	XSCALE (VERSION Feb 5, 2021)
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.200	2.460
High resolution limit [Å]	2.400	2.400
Rmeas	0.530	2.477
Number of reflections	63282	4868
<I/σ(I)>	4.9	1.28
Completeness [%]	75.1	78.3
Redundancy	20.4
CC(1/2)	0.933	0.239

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.9	293.15	100 mM NaCitrate, pH 5.9, 500 mM (NH4)2SO4, 0.8-1.2 M LiSO4