8S39

Crystal structure of Medicago truncatula glutamate dehydrogenase 2 in complex with isophthalic acid 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	2021-06-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976300
Spacegroup name	I 21 21 21
Unit cell lengths	94.728, 162.769, 216.988
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	81.380 - 2.000
R-factor	0.1631
Rwork	0.163
R-free	0.21240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.047
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.830	2.120
High resolution limit [Å]	2.000	2.000
Rmerge	0.092	1.461
Rmeas	0.097	1.556
Number of reflections	112829	17959
<I/σ(I)>	14.66	1.42
Completeness [%]	99.8	99.2
Redundancy	8.85	8.45
CC(1/2)	0.999	0.585

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	292	0.2 M Ammonium acetate 0.1 M Sodium acetate 5.0 20 % w/v PEG 4000