6YRT

Transaldolase variant T30D from T. acidophilum in complex with D-fructose 6-phosphate Schiff-base intermediate

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	2017-07-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	C 2 2 21
Unit cell lengths	149.042, 172.522, 100.402
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	112.784 - 1.650
R-factor	0.1689
Rwork	0.168
R-free	0.18660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s0c
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	112.784	100.000	1.750
High resolution limit [Å]	1.650	50.000	1.650
Rmerge	0.039	0.039	1.103
Rmeas	0.041	0.048	1.145
Total number of observations	2087960
Number of reflections	153963	5	24717
<I/σ(I)>	29.59	33.85	2.91
Completeness [%]	99.6	62.5	99.8
Redundancy	13.561	2.6	13.761
CC(1/2)	0.999	0.996	0.913

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	188 mM ammonium acetate (pH 4.4), 10% (w/v) PEG 6000, and 25% (v/v) glycerol