9BIZ

Crystal structure of the periplasmic domain of IgaA from Klebsiella pneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	80
Detector technology	PIXEL
Collection date	2021-11-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97911
Spacegroup name	C 1 2 1
Unit cell lengths	81.514, 146.443, 52.981
Unit cell angles	90.00, 120.53, 90.00

Refinement procedure

Resolution	39.000 - 2.500
R-factor	0.1967
Rwork	0.195
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.054
Data reduction software	HKL-3000
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.540
High resolution limit [Å]	2.500	2.500
Rpim	0.103
Number of reflections	17504	649
<I/σ(I)>	1.05
Completeness [%]	94.9
Redundancy	4.1
CC(1/2)		0.503

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.0 M lithium sulfate, 0.1 M Bis-Tris, pH 7.0