8S4B

CdaA-C08 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	41.490, 64.720, 128.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.580 - 2.150
R-factor	0.2418
Rwork	0.240
R-free	0.27740
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.002
RMSD bond angle	0.422
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]	45.580	50.000	2.250
High resolution limit [Å]	2.150	17.000	2.150
Rmerge	0.149	0.065	1.365
Rmeas	0.171	0.077	1.573
Number of reflections	36215	75	4603
<I/σ(I)>	5.68
Completeness [%]	99.8
Redundancy	4.13
CC(1/2)	0.993	0.996	0.620

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