9E9B

Crystal structure of L. monocytogenes MenD with Mg2+ and ThDP 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	2023-04-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953732
Spacegroup name	P 64 2 2
Unit cell lengths	176.025, 176.025, 100.144
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.570 - 2.610
R-factor	0.2009
Rwork	0.199
R-free	0.23530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.528
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]	47.570	2.730
High resolution limit [Å]	2.610	2.610
Number of reflections	28314	3395
<I/σ(I)>	14.6
Completeness [%]	100.0
Redundancy	54.5
CC(1/2)	0.994	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291.15	12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD, 0.1M MOPS/HEPES-Na pH7.5, 0.02M 1,6-hexanediol, 0.02M 1-butanol, 0.02M (RS)-1,2-propanediol, 0.02M 2-propanol, 0.02M 1,4-butanediol, 0.02M 1,3-propanediol, 5 mM MgCl2, 1 mM ThDP, 1 mM TCEP