8H18

Crystal structure of DnaQ domain of Streptococcus thermophilus strain DGCC 7710

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97855
Spacegroup name	H 3
Unit cell lengths	96.298, 96.298, 61.455
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.505 - 1.499
R-factor	0.1764
Rwork	0.176
R-free	0.20070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1j53
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.530
High resolution limit [Å]	1.499	4.070	1.500
Rmerge	0.193	0.155	1.002
Rmeas	0.203	0.163	1.078
Rpim	0.063	0.049	0.387
Number of reflections	34181	1708	1706
<I/σ(I)>	6.5
Completeness [%]	100.0	100	99.9
Redundancy	9.8	10.7	6.8
CC(1/2)		0.987	0.738

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	200 mM ammonium sulfate, 36% (w/v) PEG8000, and 100 mM sodium cacodylate trihydrate pH 6.5