9Z7O

Structure of Escherichia VapS-VapC complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-10-05
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97905
Spacegroup name	H 3
Unit cell lengths	159.082, 159.082, 176.198
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	74.220 - 3.400
R-factor	0.2409
Rwork	0.240
R-free	0.26410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	2.126
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.221	3.729
High resolution limit [Å]	3.400	3.400
Rmerge	0.352	1.119
Rmeas	0.386	1.246
Rpim	0.158	0.539
Number of reflections	13126	655
<I/σ(I)>	5.037	2.609
Completeness [%]	57.5
Redundancy	5.9
CC(1/2)	0.985	0.757

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M HEPES pH 7.5, 10% PEG 8000, 0.2 M Calcium Acetate