8QNQ

Structure of the toxin-antitoxin NatRT complex from Pseudomonas aeruginosa. NatTE29D mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	93
Detector technology	PIXEL
Collection date	2021-05-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	55.422, 107.706, 93.528
Unit cell angles	90.00, 104.06, 90.00

Refinement procedure

Resolution	53.853 - 2.386
R-factor	0.2356
Rwork	0.234
R-free	0.27000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.704
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.720	2.420
High resolution limit [Å]	2.380	2.380
Rmerge	0.210	1.340
Rmeas	0.240	1.450
Rpim	0.094	0.540
Number of reflections	39257	2102
<I/σ(I)>	11.8	2.3
Completeness [%]	92.5	99
Redundancy	6.9
CC(1/2)	0.970	0.665

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	in 0.2 M sodium/potassium phosphate pH 7.5, 0.1 M HEPES 7.5, 22.5 % v/v, PEG Smear Medium, 10 % v/v Glycerol from condition G11 of BCS screen (Molecular dimensions)