6YS0

Transaldolase variant D211A 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	148.002, 172.608, 99.309
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.142 - 1.700
R-factor	0.1742
Rwork	0.173
R-free	0.19750
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]	65.142	100.000	1.800
High resolution limit [Å]	1.700	50.000	1.700
Rmerge	0.032	0.029	1.074
Rmeas	0.033	0.033	1.114
Total number of observations	1885581
Number of reflections	137733	1	21406
<I/σ(I)>	37.09	57.47	3.21
Completeness [%]	99.0	14.3	98.5
Redundancy	13.69	4	14.043
CC(1/2)	1.000		0.910

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