7OMZ

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

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	41.963, 38.890, 61.179
Unit cell angles	90.00, 101.81, 90.00

Refinement procedure

Resolution	37.685 - 1.660
Rwork	0.151
R-free	0.18050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	D_1292116023
RMSD bond length	0.013
RMSD bond angle	1.847
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]	38.890	1.690
High resolution limit [Å]	1.660	1.660
Rmerge	0.134	0.622
Rmeas	0.149	0.721
Rpim	0.063	0.356
Number of reflections	22671	944
<I/σ(I)>	6.6	1.6
Completeness [%]	98.1	80.7
Redundancy	5.3	3.7
CC(1/2)	0.992	0.722

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	150 mM potassium thiocyanate, 10% (w/v) PEG2000MME