9Q1U

Borrelia burgdorferi BmpA bound to thymidine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-08-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	106.274, 133.172, 191.391
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.600 - 2.580
R-factor	0.2567
Rwork	0.254
R-free	0.30810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.573
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.420	2.740
High resolution limit [Å]	2.580	2.580
Rmerge	0.174
Number of reflections	80623	11985
<I/σ(I)>	4.5
Completeness [%]	95.0
Redundancy	3.5
CC(1/2)		0.156

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.1 M Sodium chloride, 0.1 M Sodium acetate, 0.1 M Lithium sulfate, 12% (w/v) PEG4000