8XU0

Clostridioides difficile MarR (WP_003434724) with salicylate

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	2023-03-30
Detector	ADSC QUANTUM 210
Wavelength(s)	0.97935
Spacegroup name	P 21 21 2
Unit cell lengths	175.456, 69.172, 95.125
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	95.120 - 2.290
R-factor	0.2201
Rwork	0.217
R-free	0.27236
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	2.051
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]	95.120	2.340
High resolution limit [Å]	2.290	2.290
Number of reflections	52642	2564
<I/σ(I)>	33
Completeness [%]	99.8
Redundancy	7.1
CC(1/2)	0.997	0.693

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