9T6S

Crystal Structure of the Listeria monocytogenes CadC with Cadmium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-22
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.8856
Spacegroup name	P 21 21 21
Unit cell lengths	63.004, 64.574, 102.705
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.190 - 2.000
R-factor	0.2063
Rwork	0.204
R-free	0.24150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.415
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX (1.21.2_5419)
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.190	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.104	1.727
Rmeas	0.127	2.115
Rpim	0.071	1.196
Number of reflections	54092	5376
<I/σ(I)>	5.81	0.64
Completeness [%]	98.9	98.17
Redundancy	3	2.9
CC(1/2)	0.998	0.373

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1 M Hepes pH7.5, 10 % 2-Propanol, 20 % PEG 4K, 15 % glycerol