8EGL

Crystal Structure of Guanylate kinase from Pseudomonas aeruginosa PAO1 in complex with GMP and ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2022-01-18
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	72.280, 72.370, 144.730
Unit cell angles	81.60, 88.00, 60.00

Refinement procedure

Resolution	48.150 - 2.350
R-factor	0.1968
Rwork	0.196
R-free	0.22870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7u5f GMP-bound structure
RMSD bond length	0.005
RMSD bond angle	0.725
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1 4674)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.410
High resolution limit [Å]	2.350	10.510	2.350
Rmerge	0.058	0.016	0.607
Rmeas	0.063	0.017	0.663
Number of reflections	103118	1138	7434
<I/σ(I)>	26.37	102.64	3.29
Completeness [%]	98.6	98.4	94.9
Redundancy	7.459	7.38	6.278
CC(1/2)	1.000	1.000	0.824

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	287	RigakuReagents. JCSG+ screen, condition G7: 100mM succinic acid pH 7.0, 15% PEG 3350; PsaeA.01463.a.AE1.PW38943 at 20mg/ml + 5mM ATP + 5mM GMP + 5mM MgCl2; tray 320335g7; cryo: 20%EG; puck xhd7-11