8S46

CdaA-E01 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)	0.96770
Spacegroup name	P 21 21 21
Unit cell lengths	39.790, 64.650, 130.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.840 - 1.990
R-factor	0.2264
Rwork	0.225
R-free	0.25870
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.002
RMSD bond angle	0.493
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]	45.840	50.000	2.090
High resolution limit [Å]	1.990	17.000	1.990
Rmerge	0.076	0.019	2.589
Rmeas	0.086	0.023	2.933
Number of reflections	44332	62	6079
<I/σ(I)>	11.58
Completeness [%]	99.8
Redundancy	4.4
CC(1/2)	0.999	0.999	0.401

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