8XTA

Clostridioides difficile MarR (WP_003434724)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2023-06-21
Detector	ADSC QUANTUM 210
Wavelength(s)	0.97933
Spacegroup name	P 21 21 2
Unit cell lengths	176.483, 69.402, 95.007
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	95.010 - 2.500
R-factor	0.21241
Rwork	0.210
R-free	0.26019
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	2.027
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.010	2.540
High resolution limit [Å]	2.500	2.500
Number of reflections	41080	1988
<I/σ(I)>	30.1
Completeness [%]	99.9
Redundancy	7.2
CC(1/2)	0.995	0.781

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	3.0 M NaCl, 0.1 M sodium acetate pH 4.5, and 10 mM DTT