9UVN

Crystal structure of UMPK from S. aureus in complex with U5P

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	Cu FINE FOCUS
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-01
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54056
Spacegroup name	C 1 2 1
Unit cell lengths	117.357, 96.302, 75.840
Unit cell angles	90.00, 103.45, 90.00

Refinement procedure

Resolution	13.033 - 3.260
R-factor	0.238000242382
Rwork	0.236
R-free	0.27625
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.616
Data reduction software	CrysalisPro (1.11.1_2575)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	13.033	3.380
High resolution limit [Å]	3.260	3.260
Rmerge	0.150	0.754
Number of reflections	12652	2604
<I/σ(I)>	5.7
Completeness [%]	97.9
Redundancy	4.2
CC(1/2)	0.981	0.662

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	2.0 M Sodium formate, 0.1 M Tris pH8.5