9LDF

The structure of TkoKptA/DNA/Appr>P complex-A

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.987
Spacegroup name	P 41 21 2
Unit cell lengths	85.285, 85.285, 66.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.130 - 1.820
R-factor	0.2033
Rwork	0.202
R-free	0.22610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.912
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19.1_4122: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.310	1.970
High resolution limit [Å]	1.820	1.820
Rmerge	0.126	3.209
Rmeas	0.130	3.516
Rpim	0.033	1.388
Number of reflections	18124	906
<I/σ(I)>	12.6
Completeness [%]	92.0
Redundancy	16.2	7.2
CC(1/2)	0.720	0.156

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	300	50 mM Ammonium sulfate 50 mM BIS-TRIS pH 6.5 30% v/v Pentaerythritol ethoxylate (15/4 EO/OH)