1TUY

Acetate Kinase complexed with ADP, AlF3 and acetate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Wavelength(s)	1.073
Spacegroup name	C 1 2 1
Unit cell lengths	180.043, 67.196, 82.142
Unit cell angles	90.00, 103.13, 90.00

Refinement procedure

Resolution	28.430 - 3.000
R-factor	0.201
Rwork	0.201
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.430	3.190
High resolution limit [Å]	3.000	3.000
Rmerge	0.106
Number of reflections	18882
Completeness [%]	99.4	85.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	310	Tris, lithium chloride, aluminum chloride, sodium flouride, acetate, ammonium sulfate, ADP, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 310K