9LDD

The structure of TkoKptA/DNA/ADPR complex-A*

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	P 41 21 2
Unit cell lengths	84.272, 84.272, 66.587
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.610 - 1.820
R-factor	0.1993
Rwork	0.197
R-free	0.24090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.092
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19.1_4122: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.590	1.920
High resolution limit [Å]	1.820	1.820
Rmerge	0.133	0.450
Rmeas	0.143	0.535
Rpim	0.052	0.279
Total number of observations	146289	9217
Number of reflections	21984	3074
<I/σ(I)>	12.7	2.7
Completeness [%]	99.5
Redundancy	6.7	3
CC(1/2)	0.994	0.767

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		300	20% (w/v) PEG 3350 200 mM Magnesium formate