6S1Z

Crystal structure of Anopheles gambiae AnoACE2 in complex with fosinoprilat

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	2018-01-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 62 2 2
Unit cell lengths	166.718, 166.718, 117.458
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	72.191 - 2.500
R-factor	0.2962
Rwork	0.294
R-free	0.33650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6s1y
RMSD bond length	0.002
RMSD bond angle	0.497
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	117.460	2.600
High resolution limit [Å]	2.500	2.500
Rpim	0.017	0.137
Number of reflections	33809	3747
<I/σ(I)>	24.8	4.7
Completeness [%]	100.0	100
Redundancy	77.3	79.8
CC(1/2)	1.000	0.622

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	291	43.2% v/v polypropylene glycol,30 mM sodium formate, 10 mM Tri pH 7.8, 0.3 % w/v gamma-PGA, 0.3% w/v PEG 20,000