10SR

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

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	94.889, 63.259, 191.484
Unit cell angles	90.00, 95.21, 90.00

Refinement procedure

Resolution	47.670 - 3.020
R-factor	0.2061
Rwork	0.204
R-free	0.24930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.448
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]	47.670	3.100
High resolution limit [Å]	3.020	3.020
Rmerge	0.118	1.395
Rmeas	0.128	1.510
Rpim	0.049	0.572
Total number of observations	305245	22612
Number of reflections	44978	3282
<I/σ(I)>	13.8	1.5
Completeness [%]	99.8
Redundancy	6.8	6.9
CC(1/2)	0.998	0.605

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 GMP. plate Liu-S197 H3, Puck: PSL-1813, Cryo: 4.0M Sodium Formate, 0.1M Acetate/acidic acid, pH 4.6