9MNN

Crystal structure of L. monocytogenes MenD with Mg2+ and intermediate I bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	110
Detector technology	PIXEL
Collection date	2023-06-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953732
Spacegroup name	P 64 2 2
Unit cell lengths	175.226, 175.226, 100.228
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.160 - 2.790
R-factor	0.1901
Rwork	0.187
R-free	0.25020
RMSD bond length	0.008
RMSD bond angle	1.021
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.590	2.910
High resolution limit [Å]	2.760	2.760
Number of reflections	23604	3200
<I/σ(I)>	10.3	1.4
Completeness [%]	99.1
Redundancy	31.2
CC(1/2)	0.996	0.384

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291.15	PEG 4000, MOPS/HEPES-Na pH 7.5, CaCl2, MgCl2, glycerol, ThDP, TCEP