9UYX

Crystal structure of UMPK from S. aureus in complex with UTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97902
Spacegroup name	P 1 21 1
Unit cell lengths	76.940, 114.786, 101.344
Unit cell angles	90.00, 90.63, 90.00

Refinement procedure

Resolution	46.354 - 2.299
R-factor	0.201803791567
Rwork	0.200
R-free	0.24198
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.684
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.299	2.300
Rmerge	0.111	0.952
Number of reflections	77260	4509
<I/σ(I)>	16.69
Completeness [%]	98.8
Redundancy	6.4
CC(1/2)	0.994	0.774

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	1.0 M Ammonium citrate tribasic pH 7.0, 0.1 M BIS-TRIS propane pH 7.0, 0.1 M Adenosine-5'-triphosphate disodium salt hydrate