9KAO

CTP synthetase of pseudomonas aeruginosa PAO1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97983
Spacegroup name	P 43 21 2
Unit cell lengths	143.660, 143.660, 194.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.080 - 3.200
R-factor	0.2842
Rwork	0.283
R-free	0.30770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.574
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (dev_5480)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.280
High resolution limit [Å]	3.200	3.200
Rmerge	0.083	0.593
Rmeas		0.839
Rpim	0.083	0.593
Number of reflections	32885	4604
<I/σ(I)>	9.1
Completeness [%]	96.2
Redundancy	1.9
CC(1/2)	0.997	0.601

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	6.5	289.15	1.6 M Ammonium sulfate, 0.1 M MES pH 6.5,10 % (v/v) 1,4-Dioxane