5JE4

Crystal structure of Burkholderia glumae ToxA Y7A mutant with bound S-adenosylhomocysteine (SAH)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-21
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	46.515, 66.622, 145.056
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.100 - 1.932
R-factor	0.1703
Rwork	0.168
R-free	0.22670
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	Burkholderia glumae ToxA Y7A mutant with bound SAH
RMSD bond length	0.006
RMSD bond angle	0.794
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.10-2155-000))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.100	2.000
High resolution limit [Å]	1.930	1.930
Rmerge	0.099	0.495
Number of reflections	32710
<I/σ(I)>	13.7	4.2
Completeness [%]	94.5	97.5
Redundancy	5.5	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	18 - 23% polyethylene glycol monomethyl ether 2000, 100 mM Tris, pH 6.1 - 6.8, 6 mM SAH, and 1 mM toxoflavin