9UVO

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

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	2023-09-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 41 21 2
Unit cell lengths	73.345, 73.345, 301.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.040 - 2.750
R-factor	0.212919472768
Rwork	0.211
R-free	0.25625
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.572
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.040	2.850
High resolution limit [Å]	2.750	2.750
Rmerge	0.115	0.911
Number of reflections	22551	3201
<I/σ(I)>	18.4
Completeness [%]	100.0
Redundancy	13.8
CC(1/2)	0.999	0.897

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	0.2 M Ammonium citrate tribasic pH7.0, 20% w/v Polyethylene glycol 3350