9G7M

Crystal structure of Collimonas fungivorans PE-like toxin, Cfx

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-06
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 62 2 2
Unit cell lengths	141.797, 141.797, 202.661
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	70.900 - 2.800
Rwork	0.229
R-free	0.25310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.898
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.900	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.493	5.740
Rmeas	0.500	5.870
Rpim	0.109	1.257
Number of reflections	30359	4335
<I/σ(I)>	7.6	0.9
Completeness [%]	100.0	100
Redundancy	39.6	41.2
CC(1/2)	0.998	0.439

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	294.15	0.2 M Magnesium chloride hexahydrate 0.1 M BIS-Tris pH 5.5, 25 % w/v PEG 3350 (condition H11 of the JCSG-plus Screen, Molecular Dimensions)