9YGK

Crystal Structure UTP--glucose-1-phosphate uridylyltransferase from Bordetella pertussis (sulfate bound)

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	2025-04-07
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	C 1 2 1
Unit cell lengths	116.246, 95.799, 81.205
Unit cell angles	90.00, 110.36, 90.00

Refinement procedure

Resolution	47.160 - 1.950
R-factor	0.1862
Rwork	0.184
R-free	0.22320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.289
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((2.0_5819: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.160	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.059	1.004
Rmeas	0.064	1.082
Rpim	0.024	0.401
Total number of observations	400715	29919
Number of reflections	58027	4194
<I/σ(I)>	14	1.7
Completeness [%]	95.6
Redundancy	6.9	7.1
CC(1/2)	0.999	0.833

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	Index B6: 0.1M HEPES pH 7.0, 1.4M Sodium citrate tribasic dihydrate. BopeA.00118.a.B2.PW39372 at 25.3 mg/mL. plate 19780 B6 drop 1, Puck: PSL-1201, Cryo: 2.5M Lithium Sulfate