8S38

Crystal structure of Medicago truncatula glutamate dehydrogenase 2 in complex with citrate and NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	I 21 21 21
Unit cell lengths	95.368, 163.100, 219.023
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.640 - 1.890
R-factor	0.1582
Rwork	0.158
R-free	0.18730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.029
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.1_3865)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	2.000
High resolution limit [Å]	1.890	1.890
Rmerge	0.062	0.899
Rmeas	0.067	0.974
Number of reflections	135999	21745
<I/σ(I)>	18.29	2.03
Completeness [%]	99.9	99.5
Redundancy	6.74	6.73
CC(1/2)	0.990	0.730

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	292	100 mM MgCl2 , 100 mM Na-citrate pH 5.0, 15% PEG 4000