6YRH

Transaldolase variant T30C/D211C 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 P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-08
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.85
Spacegroup name	C 2 2 21
Unit cell lengths	148.490, 172.040, 100.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.567 - 1.800
R-factor	0.1788
Rwork	0.177
R-free	0.20770
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]	47.567	50.000	1.900
High resolution limit [Å]	1.800	20.000	1.800
Rmerge	0.070	0.029	1.914
Rmeas	0.075	0.033	2.050
Total number of observations	952991
Number of reflections	118742	98	17612
<I/σ(I)>	13.29	39.09	1.04
Completeness [%]	100.0	95.1	100
Redundancy	8.026	4.143	7.801
CC(1/2)	0.999	0.998	0.503

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