9BJ0

Crystal structure of the periplasmic domain of IgaA from Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97911
Spacegroup name	C 2 2 21
Unit cell lengths	90.421, 94.179, 160.049
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.360 - 2.640
R-factor	0.2182
Rwork	0.216
R-free	0.25490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.228
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.740
High resolution limit [Å]	2.640	2.650
Rmeas	0.083
Number of reflections	20383	1993
<I/σ(I)>	29.5
Completeness [%]	99.6
Redundancy	6
CC(1/2)		0.788

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		294	20% PEG3350, 0.2 M potassium citrate