9T6T

Crystal Structure of the Listeria monocytogenes CadC in complex with DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-02-12
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 1 21 1
Unit cell lengths	50.503, 82.073, 38.476
Unit cell angles	90.00, 98.31, 90.00

Refinement procedure

Resolution	42.680 - 1.690
R-factor	0.2496
Rwork	0.248
R-free	0.28540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.865
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]	42.700	1.740
High resolution limit [Å]	1.690	1.690
Rmerge	0.053	1.648
Rmeas	0.068	2.115
Rpim	0.042	1.309
Number of reflections	33727	5522
<I/σ(I)>	4.82	0.48
Completeness [%]	97.5
Redundancy	2.4
CC(1/2)	0.998	0.408

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.005M Sodium chromate tetrahydrate, 0.005M Sodium molybdate dihydrate, 0.005M Sodium tungstate dihydrate, 0.005M Sodium orthovanadate, 0.1M BES pH 7.5, 0.1M Triethanolamine (TEA) pH 7.5, 15% w/v PEG 3000, 20% v/v 1, 2, 4-Butanetriol, 1% w/v NDSB 256