8ZF3

Quorum Sensing Master Regulator SmcR of Photobacterium profundum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER X8 PROTEUM
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-05
Detector	Bruker PHOTON III
Wavelength(s)	1.54
Spacegroup name	P 1
Unit cell lengths	45.546, 45.901, 49.481
Unit cell angles	92.62, 91.05, 99.94

Refinement procedure

Resolution	22.580 - 1.780
R-factor	0.192
Rwork	0.190
R-free	0.23090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7xxo
RMSD bond length	0.012
RMSD bond angle	1.602
Data reduction software	PROTEUM PLUS
Data scaling software	PROTEUM PLUS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.820	1.840
High resolution limit [Å]	1.780	1.780
Number of reflections	37767	3808
<I/σ(I)>	20
Completeness [%]	100.0
Redundancy	9.1
CC(1/2)	0.990	0.871

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		295	30% (v/v) MPD ,100 mM Sodium acetate/ Acetic acid pH 4.5, 25% (w/v) PEG 1500