4KXV

Human transketolase in covalent complex with donor ketose D-xylulose-5-phosphate, crystal 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.93939
Spacegroup name	C 1 2 1
Unit cell lengths	113.670, 85.980, 73.000
Unit cell angles	90.00, 125.30, 90.00

Refinement procedure

Resolution	30.000 - 0.970
R-factor	0.0944
Rwork	0.094
R-free	0.11440
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3mos
RMSD bond length	0.016
RMSD bond angle	320.000
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	SHELX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	50.000	1.030
High resolution limit [Å]	0.970	10.000	0.970
Rmerge	0.052	0.024	0.365
Number of reflections	301825	184	39389
<I/σ(I)>	14.98	47.12	3.55
Completeness [%]	91.4	54.1	71
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.9	279	Reservoir mixture of 13.5-15 % PEG 6000 (w/v), 4% PEG 400 (v/v), 2 % glycerol (v/v) , pH 7.9, VAPOR DIFFUSION, HANGING DROP, temperature 279.0K