6HAD

Human transketolase variant E160Q

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	115.710, 85.490, 73.610
Unit cell angles	90.00, 127.85, 90.00

Refinement procedure

Resolution	42.745 - 1.040
R-factor	0.1113
Rwork	0.111
R-free	0.12960
RMSD bond length	0.010
RMSD bond angle	1.476
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]	42.745	50.000	1.110
High resolution limit [Å]	1.040	42.745	1.040
Rmerge	0.053		0.863
Rmeas	0.058		0.946
Total number of observations	1692285
Number of reflections	263585		47044
<I/σ(I)>	14.73		2
Completeness [%]	97.3		93.5
Redundancy	6.42		5.958
CC(1/2)	0.999		0.727

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.9	277	13.5-15% PEG6000 (w/v) 4% PEG400 (v/v) 2% Glycerol (v/v)