9AZZ

Crystal structure of outer membrane lipoprotein carrier protein (LolA) from Ehrlichia ruminantium

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	2024-03-03
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 1 21 1
Unit cell lengths	80.647, 53.021, 80.802
Unit cell angles	90.00, 116.96, 90.00

Refinement procedure

Resolution	42.700 - 2.000
R-factor	0.2182
Rwork	0.216
R-free	0.26180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.076
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((dev_5250: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.700	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.163	1.293
Rmeas	0.178	1.397
Rpim	0.069	0.525
Total number of observations	279537	21518
Number of reflections	41393	3080
<I/σ(I)>	6.5	1.5
Completeness [%]	99.9
Redundancy	6.8	7
CC(1/2)	0.990	0.718

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	JCSG+ A8: 0.2M Ammonium Formate, pH 4.6, 20% PEG 3350, EhruA.17554.a.VH2.PW39214 at 22.3 mg/mL. AC Plate 21 LolA A10. Puck: PSL-2103, Cryo: 80% crystallant + 20% glycerol. Density consistent with a PEG fragment observed in subunit B