8S48

CdaA-C11 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	41.330, 64.680, 128.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.740 - 1.650
R-factor	0.1922
Rwork	0.191
R-free	0.21870
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]	35.740	50.000	1.750
High resolution limit [Å]	1.650	17.000	1.650
Rmerge	0.055	0.020	1.808
Rmeas	0.063	0.022	2.063
Number of reflections	79830	67	12861
<I/σ(I)>	10.42
Completeness [%]	99.6
Redundancy	4.2
CC(1/2)	0.999	0.999	0.558

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