6ZN8

Crystal structure of the H. influenzae VapXD toxin-antitoxin complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97903
Spacegroup name	I 41 3 2
Unit cell lengths	256.750, 256.750, 256.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.876 - 3.211
R-factor	0.2623
Rwork	0.258
R-free	0.29890
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.105
Data reduction software	XDS
Data scaling software	Aimless (0.7.1)
Phasing software	SHELXDE
Refinement software	PHENIX (1.18)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.880	46.880	3.320
High resolution limit [Å]	3.210	12.440	3.210
Rmerge	0.171	0.076	1.407
Rmeas	0.185	0.084	1.513
Rpim	0.067	0.033	0.542
Number of reflections	23799	468	2305
<I/σ(I)>	8.2
Completeness [%]	99.8	96.6	100
Redundancy	7.3	5.6	7.6
CC(1/2)	0.994	0.995	0.524

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	292	1.6 M ammonium sulfate, 10% (v/v) 1,4-dioxane