9R7O

DhhP of Borrelia burgdorferi in complex with AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-04-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.05969
Spacegroup name	P 1
Unit cell lengths	74.745, 80.239, 132.703
Unit cell angles	91.24, 91.30, 92.71

Refinement procedure

Resolution	40.060 - 2.280
R-factor	0.2276
Rwork	0.226
R-free	0.25250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.452
Data reduction software	XDS (built 20241002)
Data scaling software	XDS (built 20241002)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.060	2.361
High resolution limit [Å]	2.280	2.280
Rmerge	0.095	1.205
Rmeas	0.111	1.399
Rpim	0.057	0.709
Number of reflections	132861	13334
<I/σ(I)>	8.02	1.19
Completeness [%]	94.6	95.18
Redundancy	3.8	3.9
CC(1/2)	0.995	0.509

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	20% v/v PEG 500 MME; 10% w/v PEG 20.000; 100mM Gly-Gly/AMPD pH 8.5; 0.3% w/v CHAPS; 0.3% w/v CHAPSO; 0.3% w/v Sodium glycocholate hydrate; 0.3% w/v Taurocholic acid sodium salt hydrate; 3% DMSO