6S1Y

Crystal structure of Anopheles gambiae AnoACE2 in complex with gamma-Polyglutamic Acid.

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	2018-07-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 62 2 2
Unit cell lengths	160.972, 160.972, 121.888
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	91.760 - 2.200
R-factor	0.1954
Rwork	0.194
R-free	0.24110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AnoACE2 homology model
RMSD bond length	0.008
RMSD bond angle	0.960
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]	139.410	2.270
High resolution limit [Å]	2.200	2.200
Rpim	0.052	1.121
Number of reflections	47663	4072
<I/σ(I)>	11	0.9
Completeness [%]	100.0	100
Redundancy	38.2	39.2
CC(1/2)	0.998	0.551

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	291	36% v/v polypropylene glycol, 30 mM sodium formate, 10 mM Tris pH 7.8, 0.3 % w/v gamma-PGA, 0.3% w/v PEG 20,000