8H2F

Crystal structure of DnaQ domain in complex witn TMP 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	96.139, 96.139, 61.419
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.713 - 1.448
R-factor	0.1759
Rwork	0.175
R-free	0.18810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	IJ53
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	1.480
High resolution limit [Å]	1.448	3.940	1.450
Rmerge	0.105	0.072	0.801
Rmeas	0.110	0.076	0.856
Rpim	0.034	0.023	0.295
Number of reflections	37677	1883	1879
<I/σ(I)>	5.4
Completeness [%]	100.0	99.9	99.8
Redundancy	10.1	10.9	7.9
CC(1/2)		0.995	0.763

Crystallization Conditions

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