7DV2

Structure of Sulfolobus solfataricus SegB-DNA complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2020-11-21
Detector	RAYONIX MX300HE
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	111.181, 121.785, 104.844
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.870 - 3.100
R-factor	0.2337
Rwork	0.229
R-free	0.27680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7duv
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	3.210
High resolution limit [Å]	3.100	6.660	3.100
Rmerge	0.104	0.031	0.565
Rmeas	0.114	0.035	0.613
Rpim	0.045	0.016	0.233
Total number of observations	83127
Number of reflections	13274	1385	1286
<I/σ(I)>	6.8
Completeness [%]	98.3	96	96.5
Redundancy	6.3	5.5	5.6
CC(1/2)		0.999	0.963

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	sodium citrate tribasic dihydrate pH 5.0, magnesium chloride hexahydrate, PEG 20000