6XKE

Structure of a mosquito complement inhibitor from Anopheles albimanus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 2
Unit cell lengths	56.680, 137.680, 61.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.410 - 1.550
R-factor	0.1836
Rwork	0.183
R-free	0.20310
Structure solution method	SAD
Data reduction software	XDS (Nov 1, 2016)
Data scaling software	XSCALE (Nov 1, 2016)
Phasing software	SHELX (2016/1)
Refinement software	PHENIX (1.18.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	52.410	52.410	1.590
High resolution limit [Å]	1.550	6.950	1.550
Rmerge	0.078	0.075	0.449
Rmeas	0.082	0.079	0.514
Total number of observations	757079
Number of reflections	68450	897	3807
<I/σ(I)>	19.14	32.52	2.77
Completeness [%]	98.2	99.8	75
Redundancy	11.06	9.846	3.629
CC(1/2)	0.998	0.995	0.842

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	20% PEG 3350, 0.2 M ammonium fluoride