8OGM

Crystal structure of CdaA from Bacillus subtilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-07
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.91840
Spacegroup name	C 1 2 1
Unit cell lengths	119.360, 39.480, 68.230
Unit cell angles	90.00, 95.37, 90.00

Refinement procedure

Resolution	37.470 - 1.100
R-factor	0.1725
Rwork	0.171
R-free	0.20110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.210
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	4.920	1.130
High resolution limit [Å]	1.100	3.480	1.100
Rmerge	0.036	0.022	1.613
Rmeas	0.042	0.026	1.862
Number of reflections	117659	2508	8066
<I/σ(I)>	13.75
Completeness [%]	91.5
Redundancy	3.8
CC(1/2)	0.999	0.999	0.605

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Hepes pH 7.5 0.2 M Magnesium chloride 30% (v/v) PEG 400