9OZ4

Crystal Structure of Substrate Binding Protein (TAXI-TRAP) in Complex with L-Glutamate from Bordetella pertussis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-03-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953732
Spacegroup name	P 1 21 1
Unit cell lengths	57.430, 76.913, 65.233
Unit cell angles	90.00, 93.68, 90.00

Refinement procedure

Resolution	45.996 - 2.010
Rwork	0.165
R-free	0.27810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.502
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.998	45.960	2.060
High resolution limit [Å]	2.008	8.980	2.010
Rmerge	0.085	0.037	0.546
Rmeas	0.101	0.043	0.646
Rpim	0.054	0.022	0.342
Number of reflections	37733	457	2663
<I/σ(I)>	12.3
Completeness [%]	99.3
Redundancy	6.8	6.8	6.5
CC(1/2)	0.997	0.998	0.954

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	293.15	0.1 M CHES, 20% w/v PEG 8000