4IGL

Structure of the RHS-repeat containing BC component of the secreted ABC toxin complex from Yersinia entomophaga

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	110
Detector technology	CCD
Collection date	2012-06-02
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.953694
Spacegroup name	P 21 21 21
Unit cell lengths	133.719, 147.596, 274.354
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.549 - 2.490
R-factor	0.2025
Rwork	0.200
R-free	0.25060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Autobuilt model of non-isomorphous crystal solved by SeMet MAD
RMSD bond length	0.005
RMSD bond angle	0.936
Data reduction software	XDS
Data scaling software	Aimless (0.1.27)
Phasing software	PHASER (2.5.2)
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	137.177	49.550	2.300
High resolution limit [Å]	2.264	12.400	2.260
Rmerge	0.300	0.038	2.622
Rpim		0.011	1.524
Total number of observations		21727	22036
Number of reflections	245045
<I/σ(I)>	9	33.9	0.4
Completeness [%]	97.3	98.5	54.7
Redundancy	13.8	12.8	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	291	18% PEG 3350, 150mM potassium phosphate, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 291K