7AB5

Crystal structure of the Escherichia coli toxin-antitoxin system HipBST (HipT D233Q)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.54180
Spacegroup name	C 1 2 1
Unit cell lengths	281.661, 106.467, 57.753
Unit cell angles	90.00, 90.75, 90.00

Refinement procedure

Resolution	49.860 - 2.900
R-factor	0.1947
Rwork	0.193
R-free	0.22630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PBD-code from depostion entry D_1292109701
Data reduction software	XDS (VERSION Mar 15, 2019 BUILT=20190315)
Data scaling software	XSCALE (VERSION Mar 15, 2019 BUILT=20190315)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.19rc5_4047)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.860	49.860	2.980
High resolution limit [Å]	2.900	12.990	2.900
Rmerge	0.187	0.050	1.404
Rmeas	0.223	0.061	1.681
Total number of observations	243549
Number of reflections	73090	810	5332
<I/σ(I)>	4.76	18.19	0.62
Completeness [%]	98.7	96.1	97.8
Redundancy	3.332	3.179	3.317
CC(1/2)	0.986	0.994	0.188

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293.15	0.1 M BICINE, 6% MPD