7LCU

X-ray structure of Furin bound to BOS-318, a small molecule inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-03-04
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.9785
Spacegroup name	C 1 2 1
Unit cell lengths	95.994, 67.383, 88.632
Unit cell angles	90.00, 122.70, 90.00

Refinement procedure

Resolution	48.000 - 1.240
R-factor	0.1773
Rwork	0.176
R-free	0.19440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4z2a
RMSD bond length	0.004
RMSD bond angle	0.779
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.19_4080)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.000	1.280
High resolution limit [Å]	1.240	1.240
Number of reflections	131144	13009
<I/σ(I)>	15.6
Completeness [%]	96.0	96
Redundancy	2
CC(1/2)	0.990	0.825

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	277	PEG8000, potassium dihydrogen phosphate