8S4C

CdaA-H04 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 PILATUS 2M
Wavelength(s)	0.96770
Spacegroup name	P 21 21 21
Unit cell lengths	43.740, 64.110, 129.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.610 - 1.800
R-factor	0.2028
Rwork	0.202
R-free	0.22680
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.004
RMSD bond angle	0.698
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]	45.610	50.000	1.900
High resolution limit [Å]	1.800	17.000	1.800
Rmerge	0.050	0.033	1.739
Rmeas	0.057	0.043	1.971
Number of reflections	65314	71	9820
<I/σ(I)>	13.12
Completeness [%]	99.9
Redundancy	4.4
CC(1/2)	0.998	0.999	0.504

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