7TPM

Structure of the outer-membrane lipoprotein carrier protein (LolA) from Borrelia burgdorferi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 41 3 2
Unit cell lengths	122.136, 122.136, 122.136
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.623 - 1.900
R-factor	0.1927
Rwork	0.191
R-free	0.23120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SAD-phased structure of the same protein from a KI-soaked crystal
RMSD bond length	0.010
RMSD bond angle	1.028
Data reduction software	XDS
Data scaling software	Aimless (0.6.3)
Phasing software	CRANK2
Refinement software	PHENIX (dev_3111)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.860	49.860	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.145	0.065	2.391
Total number of observations	488064	4502	32022
Number of reflections	25182	299	1597
<I/σ(I)>	12.5	35.1	1.5
Completeness [%]	100.0	99.5	100
Redundancy	19.4	15.1	20.1
CC(1/2)	0.999	0.997	0.738

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	2 M sodium formate, 100 mM MES, 5% (w/v) PEG 5000 MME