8TVJ

Fab 227-1 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	I 41 2 2
Unit cell lengths	109.578, 109.578, 316.123
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.426 - 3.168
R-factor	0.2385
Rwork	0.235
R-free	0.29530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.569
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	3.200
High resolution limit [Å]	3.150	8.540	3.150
Rmerge		0.073	1.679
Rmeas		0.083	1.837
Rpim		0.037	0.732
Number of reflections	16722	909	839
<I/σ(I)>	3.5
Completeness [%]	99.0	95.2	99.9
Redundancy	5.7	4.6	6
CC(1/2)	0.470	0.991	0.473

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	2.0 M triammonium citrate and 5% MPD.