3MOS

The structure of human Transketolase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2008-05-26
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	113.630, 85.330, 72.740
Unit cell angles	90.00, 125.69, 90.00

Refinement procedure

Resolution	20.000 - 1.750
R-factor	0.164
Rwork	0.162
R-free	0.20600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qgd
RMSD bond length	0.024
RMSD bond angle	1.995
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.1.1)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.850
High resolution limit [Å]	1.750	1.750
Rmerge	0.050	0.394
Number of reflections	55932	8396
<I/σ(I)>	14.78	2.8
Completeness [%]	98.0	96.2
Redundancy	2.5	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.9	298	Crystallization trials revealed a reservoir mixture of 13.5-15 % PEG 6000 (w/v), 4% PEG 400 (v/v) and 2% glycerol (v/v) in 50 mM glycyl-glycine (pH 7.9) optimal for reproducible crystallization of single crystals. To induce crystallization 3 l protein solution (8-12 mg/ml, 0.6 mM ThDP, 5 mM CaCl2 in 50 mM glycyl-glycine (pH 7.9)) were mixed with 3 l of the reservoir solution at room temperature. , VAPOR DIFFUSION, HANGING DROP, temperature 298K