1R3U

Crystal Structure of Hypoxanthine-Guanine Phosphoribosyltransferase from Thermoanaerobacter tengcongensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	293
Detector technology	CCD
Collection date	2002-09-24
Detector	BRUKER SMART 6000
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	68.020, 139.510, 97.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.700 - 2.500
R-factor	0.19
Rwork	0.190
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tc2
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	PROTEUM PLUS (R)
Data scaling software	PROTEUM PLUS (R)
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.820	2.630
High resolution limit [Å]	2.500	2.500
Rmerge	0.075	0.325
Number of reflections	15616
<I/σ(I)>	7.55	1.84
Completeness [%]	95.2	89.4
Redundancy	3.59	2.53

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	PEG 8000, sodium cacodylate, magnesium acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	PEG 8000, sodium cacodylate, magnesium acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K