5TZK

Crystal structure of S. aureus TarS 1-349 in complex with UDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2015-08-20
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	53.070, 60.190, 65.390
Unit cell angles	90.00, 101.51, 90.00

Refinement procedure

Resolution	28.281 - 2.220
R-factor	0.1779
Rwork	0.176
R-free	0.21850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.000
Data reduction software	xia2
Data scaling software	Aimless (0.5.26)
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.290	28.290	2.280
High resolution limit [Å]	2.220	9.930	2.220
Rmerge	0.050	0.022	0.203
Rmeas	0.056
Rpim	0.025
Total number of observations	97397
Number of reflections	19997
<I/σ(I)>	23.1
Completeness [%]	99.5	96.3	94.2
Redundancy	4.9	4.5	4.3
CC(1/2)	0.999	0.999	0.956

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.5	293	0.2 mM lithium sulfate, 27% w/v PEG 3350, and 0.1 M Bis-Tris pH 5.5