9ARD

Structure of Pycsar EcPycC cyclase immunoglobulin-like AGS-C domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	80
Detector technology	PIXEL
Collection date	2022-02-09
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	46.918, 63.586, 48.186
Unit cell angles	90.00, 117.39, 90.00

Refinement procedure

Resolution	41.660 - 1.630
R-factor	0.1953
Rwork	0.194
R-free	0.22870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.575
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.590	1.650
High resolution limit [Å]	1.630	1.630
Number of reflections	31359	1438
<I/σ(I)>	10.9	1.2
Completeness [%]	99.1	92.5
Redundancy	4.5	4.3
CC(1/2)	0.999	0.631

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291.15	0.1 M HEPES, pH 7.5 10% (w/v) PEG4000 20% (w/v) isopropanol