6ETD

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

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 PILATUS3 6M
Wavelength(s)	0.9184
Spacegroup name	I 2 2 2
Unit cell lengths	66.130, 123.640, 132.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.130 - 1.723
R-factor	0.179
Rwork	0.177
R-free	0.20900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5g2r
RMSD bond length	0.010
RMSD bond angle	1.070
Data reduction software	XDS (Jun 1, 2017)
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]	45.135	1.958
High resolution limit [Å]	1.723	1.723
Rmerge	0.090	0.659
Rmeas	0.117	0.865
Rpim	0.073	0.555
Number of reflections	38415	2744
<I/σ(I)>	8.1	1.7
Completeness [%]	66.8	15.1
Redundancy	4.43	4.28
CC(1/2)	0.995	0.674

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	20 % (v/v) 1,2-Ehanediol; 10 % (w/v) PEG 8000; 0.3 M MgCl2; 0.3 M CaCl2; 0.1 M Tris/BICINE, 0.015 M MgxAMP