8JIB

Crystal Structure of Prophenoloxidase PPO6 from Aedes aegypti

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X17B1
Synchrotron site	NSLS
Beamline	X17B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-19
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920
Spacegroup name	P 1 21 1
Unit cell lengths	121.041, 364.149, 125.522
Unit cell angles	90.00, 118.95, 90.00

Refinement procedure

Resolution	48.660 - 3.150
R-factor	0.27134
Rwork	0.269
R-free	0.31041
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.286
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MR-Rosetta
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.660	3.320
High resolution limit [Å]	3.150	3.150
Rmerge	0.241	0.910
Rmeas	0.278
Rpim	0.135	0.499
Number of reflections	161746	23632
<I/σ(I)>	5	1.5
Completeness [%]	98.8	98.8
Redundancy	3.8	3.7
CC(1/2)	0.967	0.429

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291.15	0.2 M MgCl2,0.1 M Sodium Cacodylate pH6.5,10%-15% v/v PEG 1000