6GB9

The Structure of variant S328A 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 PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	I 2 2 2
Unit cell lengths	66.020, 123.800, 132.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.407 - 1.670
R-factor	0.186
Rwork	0.185
R-free	0.21500
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 (1.10.9)
Phasing software	PHASER (2.8.1)
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.407	1.841
High resolution limit [Å]	1.670	1.670
Rmerge	0.119	0.772
Rmeas	0.154	0.991
Rpim	0.097	0.615
Number of reflections	41927	2096
<I/σ(I)>	7	1.7
Completeness [%]	66.1	13.2
Redundancy	4.5	4.5
CC(1/2)	0.990	0.675

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1 M sodium formate, 0.1 M ammonium acetate, 0.1 M sodium citrate tribasic dihydrate, 0.1 M sodium potassium tartrate tetrahydrate, 0.1 M sodium oxamate; 0.1 M Tris BICINE pH 8.5; 10 % (w/v) PEG 4000, 20 % (v/v) glycerol