8GAL

Crystal Structure of the E. coli LptA in complex with Murgantia histrionica 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)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	45.600, 62.470, 147.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.620 - 1.800
R-factor	0.183
Rwork	0.181
R-free	0.21230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.369
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]	47.620	1.864
High resolution limit [Å]	1.800	1.800
Number of reflections	39095	3874
<I/σ(I)>	14.17
Completeness [%]	97.9
Redundancy	5.5
CC(1/2)	0.998	0.936

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	25 mM Tris pH 8.5, 100 mM NaCl, 0.0475 M sodium citrate pH 5.6, 9.5% isopropanol, 9.5% PEG 4000, 2.5% glycerol