8VEH

Crystal structure of outer membrane lipoprotein carrier protein (LolA) from Rickettsia bellii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-19
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 1 21 1
Unit cell lengths	77.802, 71.403, 78.502
Unit cell angles	90.00, 115.83, 90.00

Refinement procedure

Resolution	48.550 - 2.600
R-factor	0.2291
Rwork	0.227
R-free	0.27430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.820
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21rc1_5177: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.550	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.141	1.245
Rmeas	0.153	1.344
Rpim	0.058	0.501
Total number of observations	164327	20836
Number of reflections	24006	2916
<I/σ(I)>	10.8	1.9
Completeness [%]	99.9
Redundancy	6.8	7.1
CC(1/2)	0.997	0.600

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	Morpheus Fusion F5: 20% v/v PEG 500 MME; 10 % w/v PEG 20000, 0.04M Imidazole; 0.06M MES monohydrate (acid) pH 6.5, 0.02M DL-Glutamic acid monohydrate; 0.02M DL-Alanine; 0.02M Glycine; 0.02M DL-Lysine monohydrochloride; 0.02M DL-Serine, 0.5% w/v 1,2,4-butanetriol, 0.5% w/v 1,2,6-hexanetriol, 0.5% w/v 1,5 -pentanediol, 0.5% w/v 1,1,1-tris(hydroxymethyl)propane, 0.5% w/v meso-erythritol, RibeA.17554.a.VH3.PW39215 at 28.3 mg/mL. Plate 13404 well F5 drop 2. Puck: PSL-0710, Cryo: direct