10SW

Crystal structure of Guanylate Kinase from Burkholderia thailandensis in complex with GDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-11-15
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 1 21 1
Unit cell lengths	95.155, 63.261, 191.804
Unit cell angles	90.00, 94.94, 90.00

Refinement procedure

Resolution	47.050 - 2.960
R-factor	0.2051
Rwork	0.202
R-free	0.25930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.608
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((2.0_5936: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.770	3.040
High resolution limit [Å]	2.960	2.960
Rmerge	0.092	1.342
Rmeas	0.100	1.454
Rpim	0.038	0.555
Total number of observations	325948	24084
Number of reflections	47978	3547
<I/σ(I)>	16	1.5
Completeness [%]	99.8
Redundancy	6.8	6.8
CC(1/2)	0.999	0.574

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	291	1.6M Sodium Formate, 0.1M Acetate/acidic acid, pH 4.6. ButhA.01463.a.A1.PB00147 at 21.6 mg/mL. Cocrystallization with 2 mM GDP. plate Liu-S197 H1, Puck: PSL-1813, Cryo: 4.0M Sodium Formate, 0.1M Acetate/acidic acid, pH 4.6