6SUK

Crystal structure of Neprilysin in complex with Omapatrilat.

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	107.935, 107.935, 112.841
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	53.970 - 1.750
R-factor	0.1664
Rwork	0.166
R-free	0.19970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gid
RMSD bond length	0.003
RMSD bond angle	0.683
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]	93.470	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.137	4.105
Rpim	0.022	0.711
Number of reflections	76891	4166
<I/σ(I)>	18.4	1.2
Completeness [%]	100.0	100
Redundancy	39.9	34.1
CC(1/2)	1.000	0.507

Crystallization Conditions

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