6TJ8

Escherichia coli transketolase in complex with cofactor analog 2'-methoxythiamine diphosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-02
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	89.550, 101.910, 132.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.285 - 0.921
R-factor	0.0952
Rwork	0.095
R-free	0.10640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qgd
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.300	0.950
High resolution limit [Å]	0.920	0.920
Rmeas	0.095	0.061
Number of reflections	780617	46733
<I/σ(I)>	9.73
Completeness [%]	93.8	61.6
Redundancy	4.2	2.9
CC(1/2)	0.994	0.670

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.9	279.15	PEG6000, Glycerol, Glycyl-Glycine