9FF5

The structure of G.kaustophilus T-1 ScoC-23bp dsDNA complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-30
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.87
Spacegroup name	P 1 21 1
Unit cell lengths	88.205, 100.147, 96.606
Unit cell angles	90.00, 112.33, 90.00

Refinement procedure

Resolution	42.680 - 3.500
R-factor	0.2353
Rwork	0.233
R-free	0.28240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.387
Data reduction software	xia2
Data scaling software	DIALS
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.680	3.620
High resolution limit [Å]	3.500	3.500
Rmerge	0.146	0.940
Rmeas	0.164	1.060
Rpim	0.098	0.620
Number of reflections	21515	4173
<I/σ(I)>	6.6	1.5
Completeness [%]	98.6
Redundancy	5.2
CC(1/2)	0.980	0.540

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	40% MPD and 0.08M Magnesium acetate