8S3A

Crystal structure of Medicago truncatula glutamate dehydrogenase 2 in complex with 2,6-pyridinedicarboxylic 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	2021-11-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.977
Spacegroup name	P 1 21 1
Unit cell lengths	84.794, 157.031, 94.882
Unit cell angles	90.00, 99.59, 90.00

Refinement procedure

Resolution	46.520 - 1.850
R-factor	0.1571
Rwork	0.157
R-free	0.19900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.042
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]	46.520	1.960
High resolution limit [Å]	1.850	1.850
Rmerge	0.091	1.013
Rmeas	0.098	1.100
Number of reflections	207412	33295
<I/σ(I)>	11.36	1.53
Completeness [%]	99.8	99.4
Redundancy	6.73
CC(1/2)	0.999	0.792

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	292	0.12 Ethylene glycols, 100mM imidazole/MES pH 6.5, 12.5% MPD, 12.5% PEG1000, 12.5% PEG 3350