7WR3

Crystal structure of MBP-fused OspC3 in complex with calmodulin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	93
Detector technology	PIXEL
Collection date	2021-05-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 1 21 1
Unit cell lengths	58.846, 201.866, 101.515
Unit cell angles	90.00, 102.11, 90.00

Refinement procedure

Resolution	49.990 - 1.870
R-factor	0.1963
Rwork	0.196
R-free	0.22840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7wr2 5wq6
RMSD bond length	0.005
RMSD bond angle	0.742
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.990	1.920
High resolution limit [Å]	1.870	1.870
Rmerge	0.088	0.865
Rmeas	0.096	0.939
Number of reflections	187465	13706
<I/σ(I)>	12.49	2.29
Completeness [%]	99.2	98.2
Redundancy	6.86
CC(1/2)	0.998	0.736

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% PEG3350, 0.1 M Tris pH 8.2-8.4, 0.2 M Lithium Sulfate, 0.7% 1-Butanol