2FIQ

Crystal structure of putative tagatose 6-phosphate kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-11-01
Detector	ADSC QUANTUM 315
Wavelength(s)	1.074
Spacegroup name	P 21 21 21
Unit cell lengths	92.352, 100.001, 206.549
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.250
R-factor	0.187
Rwork	0.187
R-free	0.23300
Structure solution method	SAD
RMSD bond length	0.017
RMSD bond angle	1.380
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	RESOLVE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.059	0.335
Number of reflections	89439
<I/σ(I)>	20.8	3.54
Completeness [%]	97.7	99
Redundancy	4.6	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	PED 3350, 10 mM NaCl, 50mM MgCl2, Tris-Bis pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	PED 3350, 10 mM NaCl, 50mM MgCl2, Tris-Bis pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	PED 3350, 10 mM NaCl, 50mM MgCl2, Tris-Bis pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K