9WM5

Crystal structure of Pseudomonas aeruginosa SuhB in complex with acetate at active site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2024-12-04
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.9789
Spacegroup name	P 21 21 21
Unit cell lengths	65.547, 89.521, 99.947
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.760 - 2.400
R-factor	0.1764
Rwork	0.173
R-free	0.23130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.874
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]	46.750	2.530
High resolution limit [Å]	2.400	2.400
Number of reflections	23696	3418
<I/σ(I)>	15.8	2.2
Completeness [%]	100.0
Redundancy	7.3
CC(1/2)	0.998	0.734

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	Sodium acetate trihydrate, PEG 3350, Myo inositol, Sodium phosphate