6GB4

The Structure of variant S328A of the Mo-insertase domain Cnx1E from Arabidopsis thaliana in complex with AMP and molybdate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-22
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0
Spacegroup name	I 2 2 2
Unit cell lengths	65.310, 122.580, 133.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.290 - 1.648
R-factor	0.194
Rwork	0.193
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5g2r
RMSD bond length	0.010
RMSD bond angle	1.250
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]	90.136	1.757
High resolution limit [Å]	1.648	1.648
Rmerge	0.055	1.820
Rmeas	0.058	1.899
Rpim	0.023	0.538
Number of reflections	53674	2683
<I/σ(I)>	23.5	1.3
Completeness [%]	83.0	24
Redundancy	13.2	12.2
CC(1/2)	1.000	0.637

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		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 % glycerol; 0.015 M sodium molybdate