9HT4

Crystal structure of PA0884, the SBP component of a Pseudomonas aeruginosa PAO1 Tripartite ATP-independent Periplasmic (TRAP) transporter, complexed with succinate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-21
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	33.957, 118.525, 167.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.440 - 1.750
R-factor	0.20307
Rwork	0.201
R-free	0.24125
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	2.553
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.440	50.440	1.780
High resolution limit [Å]	1.750	9.090	1.750
Rmerge	0.402	0.055	5.210
Rmeas	0.434	0.060	5.662
Rpim	0.165	0.022	2.205
Number of reflections	69593	6845	6845
<I/σ(I)>	5.3
Completeness [%]	100.0	99.5
Redundancy	13	11.3	12.6
CC(1/2)	0.992	0.999	0.199

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	JCSG-plus HT-96 D12: 0.04 M Potassium phosphate monobasic, 16 % w/v PEG 8000, 20 % v/v Glycerol