8T5T

Crystal structure of outer membrane lipoprotein carrier protein (LolA) from Borrelia burgdorferi (steric acid bound)

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	2023-03-05
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9795
Spacegroup name	P 41 3 2
Unit cell lengths	122.291, 122.291, 122.291
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.820 - 1.800
R-factor	0.1982
Rwork	0.196
R-free	0.23620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.151
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21rc1_4933: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.930	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.077	2.755
Rmeas	0.078	2.791
Rpim	0.012	0.443
Total number of observations	1157377	67350
Number of reflections	29577	1709
<I/σ(I)>	30.1	1.7
Completeness [%]	100.0
Redundancy	39.1	39.4
CC(1/2)	1.000	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	Berkeley E4: 1500 mM Ammonium sulfate, 100 mM Hepes pH 7.5. BobuA.17454.a.DH3.PK00001 at 10 mg/mL. plate 13170, well E4 drop 3. Puck: PSL-1107, Cryo: 2.5M lithium sulfate, Large mass of electron density in the binding pocket that appeared to be a fatty acid from the expression host. Modelled as steric acid