7BML

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	53.983, 48.769, 94.696
Unit cell angles	90.00, 96.19, 90.00

Refinement procedure

Resolution	53.670 - 1.850
R-factor	0.1912
Rwork	0.190
R-free	0.25330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ggq
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]	53.670	53.670	1.910
High resolution limit [Å]	1.800	5.390	1.800
Rmerge	0.145	0.042	1.353
Rmeas	0.158	0.046	1.475
Total number of observations	300133
Number of reflections	45606	1774	7282
<I/σ(I)>	8.82	28.11	1.22
Completeness [%]	99.8	99.4	99.4
Redundancy	6.581	6.13	6.385
CC(1/2)	0.998	0.999	0.644

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	30% PEG 1500