6ETH

The Structure of the Mo-insertase domain Cnx1E from Arabidopsis thaliana in complex with AMP and tungstate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.2094
Spacegroup name	I 2 2 2
Unit cell lengths	65.500, 123.470, 133.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.580 - 1.640
R-factor	0.187
Rwork	0.186
R-free	0.20000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5g2r
RMSD bond length	0.010
RMSD bond angle	1.070
Data reduction software	XDS (Nov 1, 2016)
Data scaling software	STARANISO (1.0.5)
Phasing software	PHASER (2.6.0)
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.582	1.770
High resolution limit [Å]	1.637	1.637
Rmerge	0.057	1.864
Rmeas	0.061	1.980
Rpim	0.022	0.665
Number of reflections	50634	2532
<I/σ(I)>	21.7
Completeness [%]	75.7	18.4
Redundancy	14.89	17.05
CC(1/2)	0.999	0.818

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	293	20 % (v/v) 1,2-Ethanediol; 10 % (w/v) PEG 8000; 0.3 M MgCl2; 0.3 M CaCl2; 0.1 M Tris/BICINE, pH 7.4