8TV3

Fab 221-5 in complex with OspA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 21 2 21
Unit cell lengths	63.819, 90.963, 211.962
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.859 - 2.312
R-factor	0.2008
Rwork	0.199
R-free	0.22730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.765
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmerge		0.047	0.828
Rmeas		0.053	0.970
Rpim		0.024	0.495
Number of reflections	53784	2922	2629
<I/σ(I)>	5.2
Completeness [%]	98.4	98	96.8
Redundancy	4.4	4.4	3.3
CC(1/2)	0.630	0.997	0.631

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	100 mM MES pH 6.5, 30% PEG 600, 5% PEG 1000, and 10% glycerol.