11VJ

Effector BcTde1 in complex with BcTdi1 mutant P151G

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2025-02-08
Detector	RDI CMOS_8M
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	94.443, 127.536, 127.912
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.900 - 2.470
Rwork	0.212
R-free	0.26330
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.21)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.910	2.540
High resolution limit [Å]	2.470	2.470
Rmerge	0.238	1.837
Rmeas	0.248	1.906
Rpim	0.067	0.505
Total number of observations	758606	64062
Number of reflections	56163	4542
<I/σ(I)>	9.8	1.7
Completeness [%]	100.0
Redundancy	13.5	14.1
CC(1/2)	0.996	0.337

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	38% PEG 400, 100 mM KCl, 100 mM citrate pH 4.2