4XZ9

Transaldolase variant E60Q/F132Y from T. acidophilum in complex with DHA Schiff base and G3P

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-05-12
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.91
Spacegroup name	C 2 2 21
Unit cell lengths	148.869, 172.073, 100.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.078 - 1.800
R-factor	0.1637
Rwork	0.162
R-free	0.19380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3soc
RMSD bond length	0.014
RMSD bond angle	1.363
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.100		1.900
High resolution limit [Å]	1.800	100.000	1.800
Rmerge	0.041		0.410
Rmeas	0.045		0.452
Total number of observations	668834
Number of reflections	118576		17598
<I/σ(I)>	23.26		3.96
Completeness [%]	99.9		99.9
Redundancy	5.64		5.66

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	200 mM ammonium acetate pH 4.4, 10% (w/v) PEG 6000 and 25% (v/v) glycerol