9JFC

Crystal structure of Pseudomonas aeruginosa SuhB complexed with Gallic acid in monoclinic space group

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	2024-06-24
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.97893
Spacegroup name	P 1 21 1
Unit cell lengths	62.173, 90.603, 89.953
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.980 - 2.200
R-factor	0.18475
Rwork	0.182
R-free	0.23359
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.909
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.300	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.089	0.282
Rmeas	0.104	0.329
Rpim	0.054	0.168
Total number of observations	189644	27802
Number of reflections	50522	7363
<I/σ(I)>	10.5	4.5
Completeness [%]	99.6
Redundancy	3.8	3.8
CC(1/2)	0.995	0.928

Crystallization Conditions

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