8S5R

Structure of the Chlamydia pneumoniae effector SemD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-05
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.916771
Spacegroup name	P 1
Unit cell lengths	46.999, 51.957, 58.628
Unit cell angles	88.33, 105.89, 117.43

Refinement procedure

Resolution	45.820 - 2.100
R-factor	0.2214
Rwork	0.218
R-free	0.27760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.193
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.820	2.175
High resolution limit [Å]	2.100	2.100
Number of reflections	51456	2675
<I/σ(I)>	10.61	2.56
Completeness [%]	97.8
Redundancy	3.5
CC(1/2)	0.999	0.939

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M Citric acid (pH 2.5), 20% (w/v) PEG 6000 (pH 4)