6RJB

Human transketolase variant T382E

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	2018-09-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.8266
Spacegroup name	P 1 21 1
Unit cell lengths	73.000, 85.780, 92.790
Unit cell angles	90.00, 94.15, 90.00

Refinement procedure

Resolution	72.808 - 1.150
R-factor	0.1239
Rwork	0.123
R-free	0.14790
RMSD bond length	0.008
RMSD bond angle	1.100
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]	72.810	1.200
High resolution limit [Å]	1.150	1.150
Rmeas	0.075	2.236
Rpim	0.028	0.822
Number of reflections	389743	45267
<I/σ(I)>	13.45	0.86
Completeness [%]	96.7	94.1
Redundancy	7.19	7.19
CC(1/2)	1.000	0.412

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.9	279.15	PEG6000, PPG400, Glycerol