9FN4

DUBS Parachlamydia sp. PcJOS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.978
Spacegroup name	P 41 21 2
Unit cell lengths	88.765, 88.765, 147.545
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.760 - 2.150
R-factor	0.1848
Rwork	0.184
R-free	0.20070
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.570
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHELXDE
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.280
High resolution limit [Å]	2.150	2.150
Rmerge	0.123	1.860
Rmeas	0.125	2.050
Number of reflections	61201	9889
<I/σ(I)>	10.9
Completeness [%]	99.9	99.7
Redundancy	6.3	6.3
CC(1/2)	0.998	0.180

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	Molecular Dimensions Morpheus B7, 298 K.