8S49

CdaA-B06 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-15
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	41.660, 64.750, 129.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.710 - 1.700
R-factor	0.1986
Rwork	0.197
R-free	0.22070
Structure solution method	FOURIER SYNTHESIS
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]	45.710	50.000	1.800
High resolution limit [Å]	1.700	17.000	1.700
Rmerge	0.055	0.025	2.046
Rmeas	0.064	0.029	2.329
Number of reflections	73715	66	11563
<I/σ(I)>	10.06
Completeness [%]	99.3
Redundancy	4.2
CC(1/2)	0.998	0.999	0.536

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