7DIJ

Falcilysin in complex with MK-4815

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	80
Detector technology	PIXEL
Collection date	2019-11-09
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	93.520, 105.830, 125.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.780 - 1.900
R-factor	0.1861
Rwork	0.185
R-free	0.20610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s5m
RMSD bond length	0.009
RMSD bond angle	1.002
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]	48.780	1.968
High resolution limit [Å]	1.900	1.900
Rmerge	0.143	1.358
Rmeas	0.149
Rpim	0.041	0.385
Number of reflections	98800	9660
<I/σ(I)>	15.48
Completeness [%]	99.8	98.83
Redundancy	13.2	13.1
CC(1/2)	0.999	0.738

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M ammonium acetate, 0.1 M Tris pH 8.5, 25% w/v PEG 3,350