8C4P

CdaA-compound 7 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	180
Detector technology	PIXEL
Collection date	2022-11-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9770
Spacegroup name	P 21 21 21
Unit cell lengths	41.760, 64.200, 128.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.460 - 1.200
R-factor	0.1399
Rwork	0.139
R-free	0.16220
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	0.904
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.250
High resolution limit [Å]	1.200	17.000	1.200
Rmerge	0.047	0.028	1.201
Rmeas	0.051	0.032	1.482
Number of reflections	203653	76	21288
<I/σ(I)>	13.92
Completeness [%]	97.3
Redundancy	8
CC(1/2)	0.999	0.998	0.411

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	3.7 M NaCl, 0.1M Na-HEPES pH 8.5 and 3 % DMSO