2OLC

Crystal structure of 5-methylthioribose kinase in complex with ADP-2Ho

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	2003-08-27
Detector	ADSC QUANTUM 4r
Wavelength(s)	1.5362
Spacegroup name	P 21 21 2
Unit cell lengths	215.200, 83.600, 51.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	107.830 - 2.000
R-factor	0.215
Rwork	0.214
R-free	0.25000
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.324
Data reduction software	d*TREK
Data scaling software	d*TREK (9.5L)
Phasing software	SHELX
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	71.730	71.730	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.093	0.038	0.434
Total number of observations		202560	164510
Number of reflections	63253
<I/σ(I)>	21.9	52.6	9.2
Completeness [%]	98.8	99.7	97.5
Redundancy	26.94	29.43	26.57

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	22%(w/v) PEG2000MME, 0.1M TrisHCl pH 7.5 and 0.3M sodium acetate, vapor diffusion, hanging drop, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	22%(w/v) PEG2000MME, 0.1M TrisHCl pH 7.5 and 0.3M sodium acetate, vapor diffusion, hanging drop, temperature 298K