8S3B

Crystal structure of Medicago truncatula glutamate dehydrogenase 2 in complex with 3-(1H-Tetrazol-5-yl)benzoic acid and NAD

This is a non-PDB format compatible entry.

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	2021-09-08
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9763
Spacegroup name	P 1
Unit cell lengths	99.809, 109.861, 156.366
Unit cell angles	79.00, 78.48, 72.22

Refinement procedure

Resolution	65.690 - 2.300
R-factor	0.1686
Rwork	0.169
R-free	0.18800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.976
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]	75.860	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.073	0.430
Rmeas	0.103
Rpim		0.430
Number of reflections	230242	11515
<I/σ(I)>	8.7	2.1
Completeness [%]	91.0	62.5
Redundancy	1.99	1.93
CC(1/2)	0.997	0.720

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	292	60mM Divalents (MgCl2, CaCl2) 0.1M Tris (base)/;Bicine pH 8.5 20% v/v PEG 500* MME; 10 % w/v PEG 20000, 10% etylene glycol