3TE9

1.8 Angstrom Resolution Crystal Structure of K135M Mutant of Transaldolase B (TalA) from Francisella tularensis in Complex with Fructose 6-phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-28
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	54.844, 86.730, 140.493
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.580 - 1.800
R-factor	0.16006
Rwork	0.158
R-free	0.19238
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3igx
RMSD bond length	0.011
RMSD bond angle	1.344
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.075	0.582
Number of reflections	63010
<I/σ(I)>	24.5	3.7
Completeness [%]	100.0	100
Redundancy	7.2	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	295	Protein: 9.4mG/mL, 0.5M Sodium chloride, 0.1M TRIS-HCl, 0.02M Fructose 6-phosphate; Screen: PEG's (H1), 0.2M Potassium/Sodium tartrate, 20% (w/v) PEG3350., pH 8.3, VAPOR DIFFUSION, SITTING DROP, temperature 295K