6HA3

Human transketolase variant E160Q in covalent complex with donor ketose D-fructose-6-phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-08
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.85
Spacegroup name	C 1 2 1
Unit cell lengths	114.070, 86.090, 73.210
Unit cell angles	90.00, 125.22, 90.00

Refinement procedure

Resolution	24.558 - 1.080
R-factor	0.1123
Rwork	0.111
R-free	0.12950
RMSD bond length	0.011
RMSD bond angle	1.832
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	24.558	1.800	1.150
High resolution limit [Å]	1.080	1.700	1.080
Rmerge	0.052	0.074	0.677
Rmeas	0.057	0.081	0.743
Number of reflections	238255	9744	39930
<I/σ(I)>	13.94	19.78	2.43
Completeness [%]	96.4	98.1	94.4
Redundancy	5.806	6.024	5.826
CC(1/2)	0.999	0.996	0.783

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.9	277	Reservoir mixture of 13.5-15 % PEG 6000 (w/v), 4% PEG 400 (v/v), 2 % glycerol (v/v) , pH 7.9, VAPOR DIFFUSION, HANGING DROP, temperature 279.0K