7VPE

Falcilysin in complex with A1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	80
Detector technology	PIXEL
Collection date	2021-04-15
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.24
Spacegroup name	P 21 21 21
Unit cell lengths	93.663, 106.157, 126.122
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.920 - 1.620
R-factor	0.1798
Rwork	0.180
R-free	0.19580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s5h
RMSD bond length	0.006
RMSD bond angle	0.866
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.682
High resolution limit [Å]	1.620	1.624
Rmerge	0.027	0.298
Rmeas	0.038	0.421
Rpim	0.027	0.298
Number of reflections	157897	15104
<I/σ(I)>	13.79	1.31
Completeness [%]	99.6	95.96
Redundancy	2	2
CC(1/2)	0.997	0.786

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	Morpheus G1 (0.1 M carboxylic acids, 0.1 M buffer system 1 pH 6.5, 10% w/v PEG 20,000, 20% v/v PEG 550mme)