8R3S

Transketolase from Staphylococcus aureus in complex with thiamin pyrophosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9676
Spacegroup name	P 1 21 1
Unit cell lengths	94.900, 149.900, 253.300
Unit cell angles	90.00, 90.20, 90.00

Refinement procedure

Resolution	34.860 - 2.800
R-factor	0.2208
Rwork	0.219
R-free	0.26040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.676
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.860	2.900
High resolution limit [Å]	2.800	2.800
Number of reflections	167483	16992
<I/σ(I)>	6.74
Completeness [%]	96.1
Redundancy	2.91
CC(1/2)	0.938	0.521

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M tris pH 8.5, 25 % (w/v) PEG 8000