8CO2

YdaS N-terminal domain from prophage CP-933P in E. coli O157:H7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9786
Spacegroup name	P 31
Unit cell lengths	42.710, 42.710, 65.090
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.988 - 1.639
R-factor	0.214110437676
Rwork	0.212
R-free	0.25764
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.744
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.988	1.750
High resolution limit [Å]	1.639	1.639
Rmerge	0.040	1.135
Number of reflections	16212	2549
<I/σ(I)>	23.81	1.46
Completeness [%]	99.4	99.5
Redundancy	10.44	10.1
CC(1/2)	0.999	0.668

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	0.024 M 1,6-Hexanediol, 0.024 M 1-Butanol, 0.024 M 1,2-Propanediol, 0.024 M 2-Propanol 0.024 M 1,3-Propanediol, 0.05 M Sodium HEPES, 0.05 M MOPS, 9.375% v/v MPD; 9.375% PEG 1000; 9.375% w/v PEG 3350