13CT

Crystal structure of Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulatus bound to DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2023-10-12
Detector	RDI CMOS_8M
Wavelength(s)	0.97624
Spacegroup name	P 43 21 2
Unit cell lengths	48.778, 48.778, 141.881
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.130 - 1.910
R-factor	0.1872
Rwork	0.186
R-free	0.20660
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.148
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.130	1.940
High resolution limit [Å]	1.910	1.910
Rmeas	0.184	3.497
Rpim	0.037	0.686
Number of reflections	13996	693
<I/σ(I)>	15.3	1.6
Completeness [%]	99.9	99.9
Redundancy	24.9	25.4
CC(1/2)	0.999	0.743

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	Ammonium Citrate 2 M pH 7.0 and BIS-TRIS propane pH 7.0