8TVD

Fab 221-11 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 41 2 2
Unit cell lengths	107.812, 107.812, 316.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.732 - 3.077
R-factor	0.2369
Rwork	0.234
R-free	0.28600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.589
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	3.100
High resolution limit [Å]	3.050	8.270	3.050
Rmerge		0.127	2.961
Rmeas		0.136	3.058
Rpim		0.046	0.756
Number of reflections	35457	1956	1719
<I/σ(I)>	2.3
Completeness [%]	99.4	97.3	100
Redundancy	15.2	10.3	16.1
CC(1/2)	0.600	0.982	0.571

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	4% pentaerythritol ethoxylate, 2.2 M ammonium sulfate, and 100 mM sodium acetate pH 4.6. 2.0 M Tri-ammonium citrate and 5% MPD.