9ZPQ

Crystal structure of B. burgdorferi HtrA protease domain Ser226Ala mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X17B1
Synchrotron site	NSLS
Beamline	X17B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-23
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92010
Spacegroup name	H 3 2
Unit cell lengths	114.537, 114.537, 101.504
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.160 - 2.100
R-factor	0.1803
Rwork	0.178
R-free	0.21860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.924
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.200	2.200
High resolution limit [Å]	2.100	2.100
Number of reflections	14557	1469
<I/σ(I)>	10.6
Completeness [%]	96.6
Redundancy	2
CC(1/2)	0.999	0.416

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	2 M sodium chloride and 10% Polyethylene glycol 6000