8OFG

Streptococcus pneumoniae CdaA in complex with c-di-amp

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	2020-11-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.96770
Spacegroup name	P 41 21 2
Unit cell lengths	86.570, 86.570, 110.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.280 - 2.400
R-factor	0.2254
Rwork	0.224
R-free	0.25210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.065
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	10.730	2.460
High resolution limit [Å]	2.400	7.590	2.400
Rmerge	0.264	0.215	1.596
Rmeas	0.271	0.221	1.634
Number of reflections	17076	398	1219
<I/σ(I)>	8.07
Completeness [%]	99.9
Redundancy	2
CC(1/2)	0.990	0.990	0.698

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Tris/HCl pH 8.5 4.5 M NaCl