7MZT

Borrelia burgdorferi BBK32-C in complex with an autolytic fragment of human C1r at 4.1A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	93
Detector technology	PIXEL
Collection date	2018-04-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00
Spacegroup name	P 21 21 2
Unit cell lengths	113.619, 96.989, 108.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.260 - 4.070
R-factor	0.3693
Rwork	0.369
R-free	0.37250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qy0 6n1l
RMSD bond length	0.008
RMSD bond angle	1.287
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	4.250
High resolution limit [Å]	4.070	4.070
Rpim	0.164	0.264
Number of reflections	15139	1455
<I/σ(I)>	4.4	2.2
Completeness [%]	85.5
Redundancy	4.9
CC(1/2)	0.997	0.903

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Sodium formate, 27.5% Polyethylene glycol 3,350