7WRR

X-ray structure of Thermus thermophilus HB8 transketorase in complex with TPP and MES

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	72.720, 88.840, 117.610
Unit cell angles	72.56, 88.74, 73.74

Refinement procedure

Resolution	46.670 - 2.010
Rwork	0.198
R-free	0.22840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2e6k
RMSD bond length	0.009
RMSD bond angle	1.611
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.670	2.060
High resolution limit [Å]	2.010	2.010
Number of reflections	175041	12801
<I/σ(I)>	17.6
Completeness [%]	97.7
Redundancy	3.5
CC(1/2)	0.997	0.732

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	100mM imidazole/MES buffer pH 6.5, 20%(v/v) ethylene glycol, 10%(w/v) PEG 8000, 24mM of D-glucose, D-mannose, D-galactose, L-fucose, D-xylose, N-acetyl-D-glucosamine