8H0L

Sulfur binding domain of Hga complexed with phosphorothioated DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979150
Spacegroup name	P 21 21 21
Unit cell lengths	39.865, 57.530, 177.362
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.130 - 1.800
R-factor	0.1988
Rwork	0.198
R-free	0.22360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7cc9
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.130	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.129	0.427
Number of reflections	38501	3712
<I/σ(I)>	17.1	2.75
Completeness [%]	99.8
Redundancy	8
CC(1/2)	0.990	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		287	0.1M Potassium chloride, 0.05M Sodium Cacodylate trihydrate pH 6.0, 16% w/v Polyethylene glycol 1000, 0.0005M Spermine