2R5N

Crystal structure of transketolase from Escherichia coli in noncovalent complex with acceptor aldose ribose 5-phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-02-28
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	89.969, 101.738, 132.859
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 1.600
R-factor	0.164
Rwork	0.163
R-free	0.19600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qgd
RMSD bond length	0.010
RMSD bond angle	1.230
Data reduction software	MOSFLM
Data scaling software	d*TREK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000	44.280	1.580
High resolution limit [Å]	1.500	4.740	1.500
Rmerge	0.111	0.071	0.988
Total number of observations		92781	102029
Number of reflections	184180
<I/σ(I)>	4.9	7.1	0.8
Completeness [%]	94.7	99.8	68.7
Redundancy	12.1	14.2	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.9	281	50 mM glycyl-glycine, 10 mM thiamin diphosphate, 5 mM calcium chloride, 19-22% PEG6000, 1% glycerol, pH 7.9, VAPOR DIFFUSION, HANGING DROP, temperature 281K