7NEN

Crystal structure of outer surface protein C (OspC) from Borrelia garinii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-29
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.54184
Spacegroup name	C 2 2 21
Unit cell lengths	46.000, 151.850, 57.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.750 - 1.980
R-factor	0.2604
Rwork	0.255
R-free	0.32800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7bml
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	31.750	31.750	2.030
High resolution limit [Å]	1.980	8.850	1.980
Rmerge	0.144	0.039	0.898
Rmeas	0.153	0.042	0.957
Total number of observations	129617
Number of reflections	14012	190	1047
<I/σ(I)>	10.73	25.19	1.88
Completeness [%]	96.1	96.4	99.7
Redundancy	9.25	6.305	8.419
CC(1/2)	0.998	0.999	0.930

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.2M sodium acetate trihydrate 25% w/v PEG 3350 0.1M sodium HEPES pH 7.5 protein 30 mg/mL