7ON0

Thermus sp. 2.9 DarT in complex with ADP-ribosylated ssDNA

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.8998
Spacegroup name	P 1 21 1
Unit cell lengths	41.889, 38.683, 61.012
Unit cell angles	90.00, 101.76, 90.00

Refinement procedure

Resolution	32.490 - 1.460
Rwork	0.162
R-free	0.19030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	D_1292116023
RMSD bond length	0.014
RMSD bond angle	1.909
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.680	1.490
High resolution limit [Å]	1.460	1.460
Rmerge	0.132	1.307
Rmeas	0.144	1.452
Rpim	0.057	0.623
Number of reflections	33508	1649
<I/σ(I)>	7.4	1.1
Completeness [%]	100.0	99.9
Redundancy	6.4	5.3
CC(1/2)	0.995	0.513

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	123 mM potassium thiocyanate, 12% (w/v) PEG2000MME