6YR3

1.48 Angstrom Resolution Crystal Structure of Transaldolase from Thermoplasma 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	2013-02-04
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.82661
Spacegroup name	C 2 2 21
Unit cell lengths	148.510, 172.200, 100.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.288 - 1.480
R-factor	0.1614
Rwork	0.160
R-free	0.18620
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]	32.288	50.000	1.580
High resolution limit [Å]	1.480	17.000	1.480
Rmerge	0.043	0.025	0.662
Rmeas	0.052	0.031	0.804
Total number of observations	673583
Number of reflections	208603	143	37430
<I/σ(I)>	11.46	31.96	1.85
Completeness [%]	98.0	85.6	99.5
Redundancy	3.229	2.93	3.056
CC(1/2)	0.998	0.999	0.639

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