7AB4

Crystal structure of the Escherichia coli toxin-antitoxin system HipBST (HipT S59A)

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	2020-05-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.54180
Spacegroup name	C 1 2 1
Unit cell lengths	285.257, 107.146, 58.449
Unit cell angles	90.00, 90.71, 90.00

Refinement procedure

Resolution	50.590 - 3.340
R-factor	0.2041
Rwork	0.202
R-free	0.24350
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 (2.8.3)
Refinement software	PHENIX (1.19rc5_4047)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.590	50.590	3.320
High resolution limit [Å]	3.240	14.490	3.240
Rmerge	0.332	0.049	3.316
Rmeas	0.381	0.056	3.807
Total number of observations	184956
Number of reflections	45019	456	3141
<I/σ(I)>	4.73	19.48	0.55
Completeness [%]	81.9	75.1	78.4
Redundancy	4.108	3.943	4.097
CC(1/2)	0.983	0.996	0.167

Crystallization Conditions

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