2GEB

Crystal structure of the Thermoanaerobacter tengcongensis hypoxanthine-guanine phosphoribosyltransferase L160I mutant: insights into the inhibitor design

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	100
Detector technology	CCD
Collection date	2003-03-07
Detector	BRUKER SMART 6000
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	52.210, 88.360, 93.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.960 - 1.700
R-factor	0.204
Rwork	0.204
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	PROTEUM PLUS
Data scaling software	PROTEUM PLUS
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	64.100
High resolution limit [Å]	1.700
Number of reflections	23486

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.2 M calcium chloride dihydrate, 0.1 M HEPES, 28% polyethylene glycol 400, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K