6Q32

The structure of the Mo-insertase domain Cnx1E (variant S269DD274S) from Arabidopsis thaliana in complex with Moco-AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-10-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.99987
Spacegroup name	I 2 2 2
Unit cell lengths	65.010, 123.290, 133.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.350 - 1.390
R-factor	0.16
Rwork	0.159
R-free	0.17700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5g2s
RMSD bond length	0.010
RMSD bond angle	1.130
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.267	2.135	1.440
High resolution limit [Å]	1.390	2.061	1.386
Rmerge	0.055	0.396	6.111
Rmeas	0.059	0.422	6.440
Rpim	0.022
Number of reflections	80156	2952	10178
<I/σ(I)>	24.1		0.18
Completeness [%]	96.0	90	96
Redundancy	13.3	9.1	10.1
CC(1/2)	0.999	0.945	0.116

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	0.1 M MES pH 6.5, 24 % (v/v) PEG 400; in an anoxic atmosphere containing a 95 % argon and 5 % hydrogen gas
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	0.1 M MES pH 6.5, 24 % (v/v) PEG 400; in an anoxic atmosphere containing a 95 % argon and 5 % hydrogen gas
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	0.1 M MES pH 6.5, 24 % (v/v) PEG 400; in an anoxic atmosphere containing a 95 % argon and 5 % hydrogen gas