8OWU

The crystal structure of the polymorphic toxin PT7(Bc) D37A mutant and its cognate immunity PIM7(Bc) complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-10
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.96546
Spacegroup name	P 1
Unit cell lengths	36.607, 51.912, 54.520
Unit cell angles	94.69, 91.36, 101.67

Refinement procedure

Resolution	50.640 - 2.540
R-factor	0.2167
Rwork	0.214
R-free	0.26360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.443
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.640	2.580
High resolution limit [Å]	2.540	2.540
Number of reflections	12467	1153
<I/σ(I)>	6.6
Completeness [%]	96.4
Redundancy	1.4
CC(1/2)	0.970	0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	12% PEG-20000, 0.1 M MES pH 6.5.