6YRM

Transaldolase variant T30A 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	2017-08-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9793
Spacegroup name	C 2 2 21
Unit cell lengths	148.600, 172.270, 99.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.027 - 1.700
R-factor	0.1759
Rwork	0.174
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s0c
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.027	50.000	1.800
High resolution limit [Å]	1.700	20.000	1.700
Rmerge	0.053	0.022	2.435
Rmeas	0.057	0.025	2.630
Total number of observations	943694
Number of reflections	139170	82	21689
<I/σ(I)>	17.22	55.42	1.13
Completeness [%]	99.2	78.8	98.9
Redundancy	6.781	4.256	6.929
CC(1/2)	0.999	0.998	0.434

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