7CNP

Crystal structure of Agrobacterium tumefaciens aconitase X (apo-form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	73.131, 73.150, 133.603
Unit cell angles	90.00, 101.39, 90.00

Refinement procedure

Resolution	41.064 - 1.600
R-factor	0.177
Rwork	0.175
R-free	0.20510
Structure solution method	SAD
Data scaling software	XDS
Phasing software	AutoSol
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.556	45.556	1.700
High resolution limit [Å]	1.600	4.780	1.600
Rmerge	0.071	0.043	0.378
Rmeas	0.099	0.060	0.521
Total number of observations	602663
Number of reflections	342014	12683	54800
<I/σ(I)>	6.44	13.95	1.83
Completeness [%]	95.4	94.1	94.4
Redundancy	1.762	1.733	1.729
CC(1/2)	0.994	0.994	0.751

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG 3350, magnesium chloride, Bis-Tris