6RMS

The Structure of variant D274E of the Mo-insertase domain Cnx1E from Arabidopsis thaliana in complex with AMP

Refinement Statistics

Experimental method: SOLUTION SCATTERING, X-RAY DIFFRACTION (1.74 Å)

Cell axes	64.836	119.480	136.867
Cell angles	90.00	90.00	90.00
Spacegroup	I 2 2 2
Resolution limits	23.54 - 1.74

Crystallization Conditions

crystal ID	method	pH	pH range	temperature	unit
1	VAPOR DIFFUSION, SITTING DROP	6.5		293

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-12
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9537
Spacegroup name	I 2 2 2
Unit cell lengths	64.836, 119.480, 136.867
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.540 - 1.740
R-factor	0.202
Rwork	0.201
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6etd
RMSD bond length	0.010
RMSD bond angle	1.070
Data reduction software	XDS (VERSION Jan 26, 2018)
Data scaling software	autoPROC (1.0.5)
Phasing software	BUSTER (2.10.3)
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.009	1.905
High resolution limit [Å]	1.740	1.745
Rmerge	0.057	1.605
Rmeas	0.062	1.738
Rpim	0.023	0.663
Number of reflections	34702	1736
<I/σ(I)>	25.6	1.5
Completeness [%]	65.7	16
Redundancy	13.2	13
CC(1/2)	1.000	0.639

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.12 M 1,6-Hexanediol; 0.12 M 1-Butanol; 0.12 M 1,2-Propanediol (racemic); 0.12 M 2-Propanol; 0.12 M 1,4-Butanediol; 0.12 M 1,3-Propanediol; 30% (v/v) glycerol; 30% (w/v) PEG 4000; 0.1 M imidazole; 0.1 M MES; pH 6.5