8GAK

Crystal Structure of E. coli LptA in complex with Chinavia Ubica Thanatin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	45.510, 62.130, 150.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.860 - 1.900
R-factor	0.1996
Rwork	0.198
R-free	0.23950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.892
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.860	1.968
High resolution limit [Å]	1.900	1.900
Number of reflections	34382	3364
<I/σ(I)>	20
Completeness [%]	99.6
Redundancy	13.1
CC(1/2)	0.999	0.974

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.025 M Tris pH 8.5, 100 mM NaCl, 0.05 M MES pH 5.8, 30% MPD