1F7N

CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1998-12-18
Detector	MARRESEARCH
Spacegroup name	P 63
Unit cell lengths	79.130, 79.130, 87.210
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.200
R-factor	0.216
RMSD bond length	0.011
RMSD bond angle	29.500 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((AGROVATA)
Phasing software	X-PLOR
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.052	0.348 *
Total number of observations	88228 *
Number of reflections	15858
<I/σ(I)>	12.6
Completeness [%]	95.0	58.1
Redundancy	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5 *	295	13% MPEG 5K, 50 mM Cacodylate. The crystals were soaked in 10 mM dUTP for 24 hrs, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	21 (mg/ml)
2	1	drop		5 (mM)
3	1	drop	beta-mercaptoethanol	2 (mM)
4	1	drop	Tris-HCl	50 (mg/ml)
5	1	reservoir	mPEG5000	13 (%)
6	1	reservoir	sodium cacodylate	50 (mM)