8S47

CdaA-D07 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	44.220, 65.070, 130.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.040 - 2.110
R-factor	0.2077
Rwork	0.206
R-free	0.24020
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.002
RMSD bond angle	0.417
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]	46.040	50.000	2.210
High resolution limit [Å]	2.110	17.000	2.110
Rmerge	0.108	0.041	2.651
Rmeas	0.117	0.044	2.861
Number of reflections	41718	74	5394
<I/σ(I)>	10.08
Completeness [%]	99.9
Redundancy	7.1
CC(1/2)	0.999	0.999	0.500

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