6AQK

Crystal structure of the C-terminal toxin domain of RHS2 from Yersinia entomophaga

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.07219
Spacegroup name	P 21 21 21
Unit cell lengths	37.510, 54.520, 100.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.410 - 1.800
R-factor	0.1834
Rwork	0.181
R-free	0.22580
Structure solution method	SAD
RMSD bond length	0.018
RMSD bond angle	1.824
Data reduction software	Aimless (0.5.32)
Data scaling software	XSCALE (Jun 1, 2017 BUILT=20170720)
Phasing software	SHELXDE (2016/1)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.410	50.410	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.107	0.046	2.095
Rmeas	0.111	0.047	2.212
Total number of observations	499693
Number of reflections	18821	419	2674
<I/σ(I)>	11.92	36.9	1
Completeness [%]	99.8	99.8	97.7
Redundancy	13.523	14.227	9.688
CC(1/2)	0.999	0.999	0.399

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	291	29% PEG 2000 MME, 0.15 M KBr