1TZ6

Crystal structure of aminoimidazole riboside kinase from Salmonella enterica complexed with aminoimidazole riboside and ATP analog

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-10-21
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9760
Spacegroup name	P 21 21 21
Unit cell lengths	137.007, 54.101, 89.895
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.580 - 2.700
R-factor	0.217
Rwork	0.217
R-free	0.28500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tyy
RMSD bond length	0.007
RMSD bond angle	1.500
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Number of reflections	18879
<I/σ(I)>	23.1	4.5
Completeness [%]	99.1	99.8
Redundancy	4.7	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.1	295	PEG3350, potassium sulfate, tertiary-butanol or isopropanol, DTT, MES, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 295K