6ETF

The Structure 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	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)	1.77
Spacegroup name	I 2 2 2
Unit cell lengths	67.110, 123.570, 131.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.140 - 1.781
R-factor	0.175
Rwork	0.173
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5g2r
RMSD bond length	0.010
RMSD bond angle	1.230
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]	45.072	1.963
High resolution limit [Å]	1.781	1.781
Rmerge	0.054	1.339
Rmeas	0.056	1.414
Rpim	0.014	0.443
Number of reflections	34559	1728
<I/σ(I)>	26.558	1.527
Completeness [%]	65.6	13.18
Redundancy	15.38	9.72
CC(1/2)	1.000	0.719

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	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