6SVY

Crystal structure of Neprilysin in complex with Sampatrilat-ASP.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-06
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.92
Spacegroup name	P 32 2 1
Unit cell lengths	108.164, 108.164, 112.955
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	72.100 - 2.600
R-factor	0.2106
Rwork	0.208
R-free	0.25440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gid
RMSD bond length	0.002
RMSD bond angle	0.481
Data reduction software	DIALS (V1-14-8)
Data scaling software	Aimless
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	112.960	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.587	5.026
Rpim	0.101	0.852
Number of reflections	24000	2896
<I/σ(I)>	5.9	1.2
Completeness [%]	100.0	99.9
Redundancy	34.5	35.3
CC(1/2)	0.994	0.546

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.2M NH4Cl, 22 % w/v PEG3350